(Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid

C18H18O4 — CID 83954962

IUPAC(Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cccc(/C=C(\C(=O)O)c2ccc(C)c(C)c2)c1O
InChIInChI=1S/C18H18O4/c1-11-7-8-13(9-12(11)2)15(18(20)21)10-14-5-4-6-16(22-3)17(14)19/h4-10,19H,1-3H3,(H,20,21)/b15-10-
InChIKeyQBJXWUUYEFQVSB-GDNBJRDFSA-N
MW298.34 g/mol
LogP3.64
Rot. Bonds4

About (Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid

(Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid (PubChem CID 83954962) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
PubChem CID83954962
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cccc(/C=C(\C(=O)O)c2ccc(C)c(C)c2)c1O
InChIInChI=1S/C18H18O4/c1-11-7-8-13(9-12(11)2)15(18(20)21)10-14-5-4-6-16(22-3)17(14)19/h4-10,19H,1-3H3,(H,20,21)/b15-10-
InChIKeyQBJXWUUYEFQVSB-GDNBJRDFSA-N
XLogP3.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(4-chlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954995
(Z)-2-(4-ethoxy-3-methylphenyl)-3-(2-methoxyphenyl)prop-2-enoic acid
CID 83951220
(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950818
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83951771
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-enoic acid
CID 83954282
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
(Z)-2-(3,4-dimethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952414
(Z)-3-(2-hydroxy-3-methoxy-5-nitrophenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 112720092
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20988799
(Z)-2-(4-methylphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 83953150
(Z)-3-(2,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83956182
(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83955645

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid (CID 83954962) is (Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid is COc1cccc(/C=C(\C(=O)O)c2ccc(C)c(C)c2)c1O.
What is the InChIKey of (Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
The InChIKey is QBJXWUUYEFQVSB-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H18O4/c1-11-7-8-13(9-12(11)2)15(18(20)21)10-14-5-4-6-16(22-3)17(14)19/h4-10,19H,1-3H3,(H,20,21)/b15-10-.
What are the key properties of (Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid?
(Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid has a molecular weight of 298.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,4-dimethylphenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83954962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).