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

C17H14Cl2O3 — CID 83954749

IUPAC(Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccc(Cl)cc2Cl)C(=O)O)c(C)c1
InChIInChI=1S/C17H14Cl2O3/c1-10-7-13(22-2)5-6-14(10)15(17(20)21)8-11-3-4-12(18)9-16(11)19/h3-9H,1-2H3,(H,20,21)/b15-8-
InChIKeyNEOBPPUUHQTXIS-NVNXTCNLSA-N
MW337.20 g/mol
LogP4.94
Rot. Bonds4

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

(Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid (PubChem CID 83954749) has the molecular formula C17H14Cl2O3 and a molecular weight of 337.20 g/mol. Its IUPAC name is (Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
PubChem CID83954749
Molecular FormulaC17H14Cl2O3
Molecular Weight337.20 g/mol
Exact Mass336.03
IUPAC Name(Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccc(Cl)cc2Cl)C(=O)O)c(C)c1
InChIInChI=1S/C17H14Cl2O3/c1-10-7-13(22-2)5-6-14(10)15(17(20)21)8-11-3-4-12(18)9-16(11)19/h3-9H,1-2H3,(H,20,21)/b15-8-
InChIKeyNEOBPPUUHQTXIS-NVNXTCNLSA-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-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)prop-2-enoic acid
CID 83954743
(Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid
CID 83951656
(Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956040
(Z)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 83955695
(Z)-3-(2,4-dichlorophenyl)-2-(3-fluoro-4-methylphenyl)prop-2-enoic acid
CID 83954746
(Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid
CID 83951576
(Z)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enoic acid
CID 43132115
(Z)-2-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 83950888
4-chloro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53226268
methyl (Z)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 67271124
methyl (E)-2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enoate
CID 58952572
(Z)-3-(4-chloro-2-nitrophenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 5372217

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid (CID 83954749) is (Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid is COc1ccc(/C(=C/c2ccc(Cl)cc2Cl)C(=O)O)c(C)c1.
What is the InChIKey of (Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid?
The InChIKey is NEOBPPUUHQTXIS-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H14Cl2O3/c1-10-7-13(22-2)5-6-14(10)15(17(20)21)8-11-3-4-12(18)9-16(11)19/h3-9H,1-2H3,(H,20,21)/b15-8-.
What are the key properties of (Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid?
(Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-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-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83954749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).