(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid

C24H22O4 — CID 20991953

IUPAC(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2ccccc2)c(OCc2ccccc2C)c1
InChIInChI=1S/C24H22O4/c1-17-8-6-7-11-20(17)16-28-23-15-21(27-2)13-12-19(23)14-22(24(25)26)18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,25,26)/b22-14-
InChIKeyYXNBJZGAONYINI-HMAPJEAMSA-N
MW374.44 g/mol
LogP5.21
Rot. Bonds7

About (Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid

(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid (PubChem CID 20991953) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
PubChem CID20991953
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2ccccc2)c(OCc2ccccc2C)c1
InChIInChI=1S/C24H22O4/c1-17-8-6-7-11-20(17)16-28-23-15-21(27-2)13-12-19(23)14-22(24(25)26)18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,25,26)/b22-14-
InChIKeyYXNBJZGAONYINI-HMAPJEAMSA-N
XLogP5.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.21
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-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid
CID 22687590
N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680097
(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
methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
CID 53113065
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024
(Z)-2-(3,4-dimethoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20984861
(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20990227
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
(Z)-3-(2,5-dimethoxyphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 83956182

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid (CID 20991953) is (Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid is COc1ccc(/C=C(\C(=O)O)c2ccccc2)c(OCc2ccccc2C)c1.
What is the InChIKey of (Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid?
The InChIKey is YXNBJZGAONYINI-HMAPJEAMSA-N. The full InChI is InChI=1S/C24H22O4/c1-17-8-6-7-11-20(17)16-28-23-15-21(27-2)13-12-19(23)14-22(24(25)26)18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,25,26)/b22-14-.
What are the key properties of (Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid?
(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid has a molecular weight of 374.44 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid is sourced from PubChem (CID 20991953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).