(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid

C23H20O4 — CID 22679856

IUPAC(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H20O4/c1-26-20-13-12-19(14-21(23(24)25)18-10-6-3-7-11-18)22(15-20)27-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,24,25)/b21-14-
InChIKeyRMLDMNFEOZLXTB-STZFKDTASA-N
MW360.41 g/mol
LogP4.90
Rot. Bonds7

About (Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid

(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid (PubChem CID 22679856) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
PubChem CID22679856
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
SMILESCOc1ccc(/C=C(\C(=O)O)c2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H20O4/c1-26-20-13-12-19(14-21(23(24)25)18-10-6-3-7-11-18)22(15-20)27-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,24,25)/b21-14-
InChIKeyRMLDMNFEOZLXTB-STZFKDTASA-N
XLogP4.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.90
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-[2-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-phenylprop-2-enoic acid
CID 22687590
(Z)-3-[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20991953
(Z)-2-(4-methoxyphenyl)-3-(4-methoxy-2-propoxyphenyl)prop-2-enoic acid
CID 20985032
(Z)-3-[2-[(3-chlorophenyl)methoxy]phenyl]-2-(4-methoxyphenyl)prop-2-enoic acid
CID 20990227
(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-[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
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887379
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
3-[2-[(4-bromophenyl)methoxy]-4-methoxyphenyl]-2-cyanoprop-2-enoic acid
CID 22680314
[5-hydroxy-2-[(E)-prop-1-enyl]phenyl]-(4-methoxy-2-phenylmethoxyphenyl)methanone;praseodymium
CID 20685342

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid (CID 22679856) is (Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid is COc1ccc(/C=C(\C(=O)O)c2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of (Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid?
The InChIKey is RMLDMNFEOZLXTB-STZFKDTASA-N. The full InChI is InChI=1S/C23H20O4/c1-26-20-13-12-19(14-21(23(24)25)18-10-6-3-7-11-18)22(15-20)27-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,24,25)/b21-14-.
What are the key properties of (Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid?
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid has a molecular weight of 360.41 g/mol, XLogP of 4.90, 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-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid is sourced from PubChem (CID 22679856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).