(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid

C23H19ClO4 — CID 20990227

IUPAC(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccccc2OCc2cccc(Cl)c2)C(=O)O)cc1
InChIInChI=1S/C23H19ClO4/c1-27-20-11-9-17(10-12-20)21(23(25)26)14-18-6-2-3-8-22(18)28-15-16-5-4-7-19(24)13-16/h2-14H,15H2,1H3,(H,25,26)/b21-14-
InChIKeyFRRNJCFBFYUQCO-STZFKDTASA-N
MW394.85 g/mol
LogP5.55
Rot. Bonds7

About (Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid

(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid (PubChem CID 20990227) has the molecular formula C23H19ClO4 and a molecular weight of 394.85 g/mol. Its IUPAC name is (Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
PubChem CID20990227
Molecular FormulaC23H19ClO4
Molecular Weight394.85 g/mol
Exact Mass394.10
IUPAC Name(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccccc2OCc2cccc(Cl)c2)C(=O)O)cc1
InChIInChI=1S/C23H19ClO4/c1-27-20-11-9-17(10-12-20)21(23(25)26)14-18-6-2-3-8-22(18)28-15-16-5-4-7-19(24)13-16/h2-14H,15H2,1H3,(H,25,26)/b21-14-
InChIKeyFRRNJCFBFYUQCO-STZFKDTASA-N
XLogP5.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.85
LogP ≤ 55.55
H-Bond Donors ≤ 51
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)-3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 22682126
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856
(Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid
CID 22687590
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024
(Z)-2-(4-chlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954995
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20988799
N-[[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 4684451
N-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126394512
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032
(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 22682833

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid (CID 20990227) is (Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid is COc1ccc(/C(=C/c2ccccc2OCc2cccc(Cl)c2)C(=O)O)cc1.
What is the InChIKey of (Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid?
The InChIKey is FRRNJCFBFYUQCO-STZFKDTASA-N. The full InChI is InChI=1S/C23H19ClO4/c1-27-20-11-9-17(10-12-20)21(23(25)26)14-18-6-2-3-8-22(18)28-15-16-5-4-7-19(24)13-16/h2-14H,15H2,1H3,(H,25,26)/b21-14-.
What are the key properties of (Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid?
(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid has a molecular weight of 394.85 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 20990227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).