2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid

C29H24O4 — CID 10526917

IUPAC2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C(=C\c2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C29H24O4/c30-29(31)21-33-27-17-13-25(14-18-27)28(19-22-7-3-1-4-8-22)24-11-15-26(16-12-24)32-20-23-9-5-2-6-10-23/h1-19H,20-21H2,(H,30,31)/b28-19-
InChIKeyQELLAYZYHLOQBW-USHMODERSA-N
MW436.51 g/mol
LogP6.32
Rot. Bonds9

About 2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid

2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid (PubChem CID 10526917) has the molecular formula C29H24O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid
PubChem CID10526917
Molecular FormulaC29H24O4
Molecular Weight436.51 g/mol
Exact Mass436.17
IUPAC Name2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C(=C\c2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C29H24O4/c30-29(31)21-33-27-17-13-25(14-18-27)28(19-22-7-3-1-4-8-22)24-11-15-26(16-12-24)32-20-23-9-5-2-6-10-23/h1-19H,20-21H2,(H,30,31)/b28-19-
InChIKeyQELLAYZYHLOQBW-USHMODERSA-N
XLogP6.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenylmethoxybenzoic acid
CID 68896574
2-[4-[(Z)-1-cyano-2-phenylethenyl]phenoxy]acetic acid
CID 156772109
(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6534022
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
2-[4-[(3-phenylphenyl)methoxy]phenoxy]acetic acid
CID 67146724
4-phenylmethoxybenzoyl fluoride
CID 154719359
(2Z,3Z)-2,3-bis[(4-phenylmethoxyphenyl)methylidene]butanedial
CID 11248500
1-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 51050714
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
2-methyl-3-(4-phenylmethoxyphenyl)prop-2-enal
CID 54097134
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid (CID 10526917) is 2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid is O=C(O)COc1ccc(/C(=C\c2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid?
The InChIKey is QELLAYZYHLOQBW-USHMODERSA-N. The full InChI is InChI=1S/C29H24O4/c30-29(31)21-33-27-17-13-25(14-18-27)28(19-22-7-3-1-4-8-22)24-11-15-26(16-12-24)32-20-23-9-5-2-6-10-23/h1-19H,20-21H2,(H,30,31)/b28-19-.
What are the key properties of 2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid?
2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid has a molecular weight of 436.51 g/mol, XLogP of 6.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-2-phenyl-1-(4-phenylmethoxyphenyl)ethenyl]phenoxy]acetic acid is sourced from PubChem (CID 10526917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).