(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid

C18H18O3 — CID 83955419

IUPAC(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cccc(/C=C(\C(=O)O)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H18O3/c1-12-7-8-13(2)16(9-12)17(18(19)20)11-14-5-4-6-15(10-14)21-3/h4-11H,1-3H3,(H,19,20)/b17-11-
InChIKeyGAFVKUPGXYMKPL-BOPFTXTBSA-N
MW282.34 g/mol
LogP3.94
Rot. Bonds4

About (Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid

(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid (PubChem CID 83955419) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid
PubChem CID83955419
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cccc(/C=C(\C(=O)O)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H18O3/c1-12-7-8-13(2)16(9-12)17(18(19)20)11-14-5-4-6-15(10-14)21-3/h4-11H,1-3H3,(H,19,20)/b17-11-
InChIKeyGAFVKUPGXYMKPL-BOPFTXTBSA-N
XLogP3.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-(3-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83954820
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(Z)-3-(3-hydroxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83956118
(Z)-2-(2,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enoic acid
CID 112721311
(Z)-2-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 83950888
(Z)-2-(2,5-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83951821
(Z)-3-(4-butoxyphenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 83951937
(Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954371
(Z)-2-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955074
[2-(2,5-dimethylphenyl)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2542439
(Z)-2-(2,4-dimethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952415
(Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid
CID 83954190

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid (CID 83955419) is (Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid is COc1cccc(/C=C(\C(=O)O)c2cc(C)ccc2C)c1.
What is the InChIKey of (Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid?
The InChIKey is GAFVKUPGXYMKPL-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H18O3/c1-12-7-8-13(2)16(9-12)17(18(19)20)11-14-5-4-6-15(10-14)21-3/h4-11H,1-3H3,(H,19,20)/b17-11-.
What are the key properties of (Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid?
(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid has a molecular weight of 282.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83955419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).