1,3-Dimethylnaphthalene

PubChem CID: 11327

Connections displayed (default: 10).

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Compound Synonyms	1,3-DIMETHYLNAPHTHALENE, 575-41-7, Naphthalene, 1,3-dimethyl-, 1,3-dimethyl-naphthalene, 1,3-DMN, 3RY1AV3CER, EINECS 209-384-6, NSC 66991, BRN 2039378, CHEBI:48614, UNII-3RY1AV3CER, NSC-66991, CHEMBL370524, DTXSID9060360, DIMETHYLNAPHTHALENE, 1,3-, 4-05-00-01708 (Beilstein Handbook Reference), MFCD00004036, 111495-85-3, NSC66991, Naphthalene, 1,3dimethyl, 1,3-Dimethylnaphthalene, 96%, DTXCID2042226, BDBM50159274, STL509279, AKOS015913366, FD30130, LS-14058, CS-0128734, D0830, NS00005756, T71081, Q27121290, 209-384-6
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	0.0
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2CCCCC2C1
Deep Smiles	Ccccccccc6cc%10)C
Heavy Atom Count	12.0
Classyfire Class	Naphthalenes
Scaffold Graph Node Level	C1CCC2CCCCC2C1
Isotope Atom Count	0.0
Molecular Complexity	150.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P05177, P11509, P20852
Iupac Name	1,3-dimethylnaphthalene
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Benzenoids
Target Id	NPT208, NPT240
Xlogp	4.4
Gsk 4 400 Rule	True
Molecular Formula	C12H12
Scaffold Graph Node Bond Level	c1ccc2ccccc2c1
Prediction Swissadme	0.0
Inchi Key	QHJMFSMPSZREIF-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.1666666666666666
Logs	-4.823
Rotatable Bond Count	0.0
Logd	3.831
Synonyms	1,3 -dimethylnaphthalene, 1,3-diemthyl-naphthalene, 1,3-dimethylnaphthalene
Esol Class	Moderately soluble
Compound Name	1,3-Dimethylnaphthalene
Prediction Hob Swissadme	0.0
Exact Mass	156.094
Formal Charge	0.0
Monoisotopic Mass	156.094
Hydrogen Bond Acceptor Count	0.0
Molecular Weight	156.22
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-4.209880266666667
Inchi	InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
Smiles	CC1=CC2=CC=CC=C2C(=C1)C
Nring	2.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True

1. Outgoing r'ship FOUND_IN to/from Aconitum Gigas (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
3. Outgoing r'ship FOUND_IN to/from Angelica Anomala (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Angelica Archangelica (Plant) Rel Props:Reference:
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9. Outgoing r'ship FOUND_IN to/from Angelica Genuflexa (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:npass_chem_all
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48. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all; Reference:
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86. Outgoing r'ship FOUND_IN to/from Artemisia Moorcroftiana (Plant) Rel Props:Reference:
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89. Outgoing r'ship FOUND_IN to/from Artemisia Nilagirica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Artemisia Oranensis (Plant) Rel Props:Reference:
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99. Outgoing r'ship FOUND_IN to/from Artemisia Roxbugiana (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Artemisia Roxburghiana (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Artemisia Rubripes (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Artemisia Rupestris (Plant) Rel Props:Reference:
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104. Outgoing r'ship FOUND_IN to/from Artemisia Salsoloides (Plant) Rel Props:Reference:
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116. Outgoing r'ship FOUND_IN to/from Artemisia Umbelliformis (Plant) Rel Props:Reference:
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120. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Artemisia Wallichiana (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
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127. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Entada Gigas (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Rheum Palmatum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
143. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Tetraria Capillaris (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Viscum Album (Plant) Rel Props:Reference:ISBN:9788172361266
152. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:

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1,3-Dimethylnaphthalene

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Phytochemical Properties

Associated Connections 152

Plant Connections 152