2-Allyl-4,5-Dimethoxyphenol

PubChem CID: 10997884

Connections displayed (default: 10).

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Compound Synonyms	2-Allyl-4,5-dimethoxyphenol, 59893-87-7, 4,5-dimethoxy-2-prop-2-enylphenol, 4,5-DIMETHOXY-2-(2-PROPENYL)PHENOL, CHEMBL1163202, DTXSID20451252, MFCD18975114, 4,5-DIMETHOXY-2-(PROP-2-EN-1-YL)PHENOL, SCHEMBL13387030, DTXCID70402072, JCA89387, BDBM50321277, AKOS015891162, DS-6852, DB-338058, CS-0158006, C75801, EN300-1721583, Z1251353913
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCCCC1
Np Classifier Class	Cinnamic acids and derivatives
Deep Smiles	C=CCcccOC))ccc6O)))OC
Heavy Atom Count	14.0
Classyfire Class	Phenols
Scaffold Graph Node Level	C1CCCCC1
Classyfire Subclass	Methoxyphenols
Isotope Atom Count	0.0
Molecular Complexity	181.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	Q10283
Iupac Name	4,5-dimethoxy-2-prop-2-enylphenol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Benzenoids
Xlogp	2.6
Gsk 4 400 Rule	True
Molecular Formula	C11H14O3
Scaffold Graph Node Bond Level	c1ccccc1
Prediction Swissadme	1.0
Inchi Key	IHAVVJBEVFMSES-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.2727272727272727
Logs	-2.148
Rotatable Bond Count	4.0
Logd	2.415
Synonyms	4,5-dimethoxy-2-(2-propenyl)-phenol
Esol Class	Soluble
Functional Groups	C=CC, cO, cOC
Compound Name	2-Allyl-4,5-Dimethoxyphenol
Prediction Hob Swissadme	1.0
Exact Mass	194.094
Formal Charge	0.0
Monoisotopic Mass	194.094
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	194.23
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-2.722768857142857
Inchi	InChI=1S/C11H14O3/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7,12H,1,5H2,2-3H3
Smiles	COC1=C(C=C(C(=C1)CC=C)O)OC
Nring	1.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Phenylpropanoids (C6-C3)

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2-Allyl-4,5-Dimethoxyphenol

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Phytochemical Properties

Associated Connections 73

Plant Connections 73