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

C23H19ClO4 — CID 22687590

IUPAC(Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2ccccc2)c(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H19ClO4/c1-27-20-12-9-18(13-21(23(25)26)17-5-3-2-4-6-17)22(14-20)28-15-16-7-10-19(24)11-8-16/h2-14H,15H2,1H3,(H,25,26)/b21-13-
InChIKeyHREKFSLJWNVSLA-BKUYFWCQSA-N
MW394.85 g/mol
LogP5.55
Rot. Bonds7

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

(Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid (PubChem CID 22687590) has the molecular formula C23H19ClO4 and a molecular weight of 394.85 g/mol. Its IUPAC name is (Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid
PubChem CID22687590
Molecular FormulaC23H19ClO4
Molecular Weight394.85 g/mol
Exact Mass394.10
IUPAC Name(Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2ccccc2)c(OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H19ClO4/c1-27-20-12-9-18(13-21(23(25)26)17-5-3-2-4-6-17)22(14-20)28-15-16-7-10-19(24)11-8-16/h2-14H,15H2,1H3,(H,25,26)/b21-13-
InChIKeyHREKFSLJWNVSLA-BKUYFWCQSA-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-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856
(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20991953
(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20990227
(Z)-2-(4-chlorophenyl)-3-(2,4-diethoxyphenyl)prop-2-enoic acid
CID 112720546
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032
(Z)-3-(2,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83955645
(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 20993089
(Z)-3-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 22682126
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
(Z)-2-(4-chlorophenyl)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CID 83954995
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid (CID 22687590) is (Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid is COc1ccc(/C=C(\C(=O)O)c2ccccc2)c(OCc2ccc(Cl)cc2)c1.
What is the InChIKey of (Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid?
The InChIKey is HREKFSLJWNVSLA-BKUYFWCQSA-N. The full InChI is InChI=1S/C23H19ClO4/c1-27-20-12-9-18(13-21(23(25)26)17-5-3-2-4-6-17)22(14-20)28-15-16-7-10-19(24)11-8-16/h2-14H,15H2,1H3,(H,25,26)/b21-13-.
What are the key properties of (Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid?
(Z)-3-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-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-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid is sourced from PubChem (CID 22687590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).