(Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid

C17H14Cl2O3 — CID 83955379

IUPAC(Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)O)cc1C
InChIInChI=1S/C17H14Cl2O3/c1-10-7-12(4-6-16(10)22-2)13(17(20)21)8-11-3-5-14(18)15(19)9-11/h3-9H,1-2H3,(H,20,21)/b13-8-
InChIKeyYSJKDXNIIRMFDS-JYRVWZFOSA-N
MW337.20 g/mol
LogP4.94
Rot. Bonds4

About (Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid

(Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid (PubChem CID 83955379) has the molecular formula C17H14Cl2O3 and a molecular weight of 337.20 g/mol. Its IUPAC name is (Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
PubChem CID83955379
Molecular FormulaC17H14Cl2O3
Molecular Weight337.20 g/mol
Exact Mass336.03
IUPAC Name(Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)O)cc1C
InChIInChI=1S/C17H14Cl2O3/c1-10-7-12(4-6-16(10)22-2)13(17(20)21)8-11-3-5-14(18)15(19)9-11/h3-9H,1-2H3,(H,20,21)/b13-8-
InChIKeyYSJKDXNIIRMFDS-JYRVWZFOSA-N
XLogP4.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 54.94
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-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952301
(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956035
(Z)-3-(3-chloro-4-ethoxyphenyl)-2-(3,4-dimethylphenyl)prop-2-enoic acid
CID 83953009
(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 83956228
(Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952941
(Z)-2-(4-methoxy-3-methylphenyl)but-2-enedioic acid
CID 82116687
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)prop-2-enoic acid
CID 83955993
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(4-ethylphenyl)prop-2-enoic acid
CID 83953226
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952468
(2E,3E)-2,3-bis[(4-methoxy-3-methylphenyl)methylidene]butanedioic acid
CID 10339857
(Z)-3-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 1265001
(E)-1,2,3-tris(3,4-dichlorophenyl)prop-2-en-1-one
CID 102081639

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid (CID 83955379) is (Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid is COc1ccc(/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)O)cc1C.
What is the InChIKey of (Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid?
The InChIKey is YSJKDXNIIRMFDS-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H14Cl2O3/c1-10-7-12(4-6-16(10)22-2)13(17(20)21)8-11-3-5-14(18)15(19)9-11/h3-9H,1-2H3,(H,20,21)/b13-8-.
What are the key properties of (Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid?
(Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid has a molecular weight of 337.20 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83955379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).