2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid

C23H20O4 — CID 54000159

IUPAC2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
SMILESCOc1cc(C=Cc2ccccc2OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C23H20O4/c1-26-22-15-17(12-14-20(22)23(24)25)11-13-19-9-5-6-10-21(19)27-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,24,25)
InChIKeyKKZKYWFBQPWENH-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.14
Rot. Bonds7

About 2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid

2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid (PubChem CID 54000159) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
PubChem CID54000159
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
SMILESCOc1cc(C=Cc2ccccc2OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C23H20O4/c1-26-22-15-17(12-14-20(22)23(24)25)11-13-19-9-5-6-10-21(19)27-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,24,25)
InChIKeyKKZKYWFBQPWENH-UHFFFAOYSA-N
XLogP5.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
methyl 3-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoate
CID 70346485
2-[2-(3,4-dimethoxyphenyl)ethenyl]benzoic acid
CID 54188462
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887380
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
4-(3-hydroxyprop-1-enyl)-2-methoxybenzoic acid
CID 169453817
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
4-[(E)-3-hydroxyprop-1-enyl]-2-methoxybenzoic acid
CID 101130006
3-fluoro-2-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 67658717
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
CID 12681944
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid?
The IUPAC name of 2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid (CID 54000159) is 2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid?
The canonical SMILES for 2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid is COc1cc(C=Cc2ccccc2OCc2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid?
The InChIKey is KKZKYWFBQPWENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-26-22-15-17(12-14-20(22)23(24)25)11-13-19-9-5-6-10-21(19)27-16-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,24,25).
What are the key properties of 2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid?
2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid has a molecular weight of 360.41 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid is sourced from PubChem (CID 54000159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).