1,5-Dimethylnaphthalene

PubChem CID: 11306

Connections displayed (default: 10).

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Compound Synonyms	1,5-DIMETHYLNAPHTHALENE, 571-61-9, Naphthalene, 1,5-dimethyl-, 1,5-DMN, 1,5-dimethyl-naphthalene, UNII-60CM3233U9, CHEBI:48608, EINECS 209-338-5, MFCD00004038, NSC 59388, NSC-59388, 60CM3233U9, CHEMBL435106, DTXSID0060351, NSC59388, 1,5-Dimethylnaphthalin, Naphthalene,5-dimethyl-, Naphthalene, 1,5dimethyl, Naphthalene,1,5-dimethyl-, 1,5-Dimethylnaphthalene, 98%, DTXCID5042166, Naphthalene, 1,5-dimethyl-(8CI), BDBM50159247, STL280252, AKOS005208625, AS-57959, Naphthalene, 1,5-dimethyl-(8CI)(9CI), CS-0147061, D0748, D2764, NS00033654, A12656, Q27121286, 209-338-5
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	Ccccccc6cccc6C
Heavy Atom Count	12.0
Classyfire Class	Naphthalenes
Scaffold Graph Node Level	C1CCC2CCCCC2C1
Isotope Atom Count	0.0
Molecular Complexity	132.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P05177, P11509, P20852
Iupac Name	1,5-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	SDDBCEWUYXVGCQ-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.1666666666666666
Logs	-4.919
Rotatable Bond Count	0.0
Logd	3.799
Synonyms	1,5-dimethyl-naphthalene
Esol Class	Moderately soluble
Compound Name	1,5-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	-4.184680266666666
Inchi	InChI=1S/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3
Smiles	CC1=C2C=CC=C(C2=CC=C1)C
Nring	2.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True

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21. Outgoing r'ship FOUND_IN to/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
22. Outgoing r'ship FOUND_IN to/from Radermachera Sinica (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Rheum Palmatum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279
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36. Outgoing r'ship FOUND_IN to/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
37. Outgoing r'ship FOUND_IN to/from Trichosanthes Laciniosa (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Trichosanthes Lepiniana (Plant) Rel Props:Reference:
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44. Outgoing r'ship FOUND_IN to/from Trichosanthes Wallichiana (Plant) Rel Props:Reference:

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1,5-Dimethylnaphthalene

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Phytochemical Properties

Associated Connections 44

Plant Connections 44