4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid

C21H15ClO2 — CID 22400848

IUPAC4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C/c2ccccc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClO2/c22-19-13-11-17(12-14-19)20-4-2-1-3-16(20)8-5-15-6-9-18(10-7-15)21(23)24/h1-14H,(H,23,24)/b8-5+
InChIKeyXETZTKXVPKHFBR-VMPITWQZSA-N
MW334.80 g/mol
LogP5.88
Rot. Bonds4

About 4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid

4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid (PubChem CID 22400848) has the molecular formula C21H15ClO2 and a molecular weight of 334.80 g/mol. Its IUPAC name is 4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid
PubChem CID22400848
Molecular FormulaC21H15ClO2
Molecular Weight334.80 g/mol
Exact Mass334.08
IUPAC Name4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C/c2ccccc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClO2/c22-19-13-11-17(12-14-19)20-4-2-1-3-16(20)8-5-15-6-9-18(10-7-15)21(23)24/h1-14H,(H,23,24)/b8-5+
InChIKeyXETZTKXVPKHFBR-VMPITWQZSA-N
XLogP5.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.80
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(2-naphthalen-2-ylphenyl)ethenyl]benzoic acid
CID 22400857
1-chloro-4-[(E)-2-[2-[2-[(Z)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 101472546
4-[2-[2-(furan-2-yl)phenyl]ethenyl]benzoic acid
CID 54134522
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
4-bromo-3-[(E)-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 23141451
CID 88944737
CID 88944737
4-chloro(13C)benzoic acid
CID 66995527
2-[(E)-2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonic acid
CID 131989084
4-[2-[2-[(2,6-dichlorobenzoyl)amino]phenyl]ethenyl]benzoic acid
CID 174535080
4-[(E)-2-(5,8-diphenylnaphthalen-2-yl)ethenyl]benzoic acid
CID 86302393
4-[2-[2-(2-phenylphenyl)ethenyl]phenyl]benzohydrazide
CID 174466684
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid?
The IUPAC name of 4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid (CID 22400848) is 4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid.
What is the SMILES notation for 4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid?
The canonical SMILES for 4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid is O=C(O)c1ccc(/C=C/c2ccccc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid?
The InChIKey is XETZTKXVPKHFBR-VMPITWQZSA-N. The full InChI is InChI=1S/C21H15ClO2/c22-19-13-11-17(12-14-19)20-4-2-1-3-16(20)8-5-15-6-9-18(10-7-15)21(23)24/h1-14H,(H,23,24)/b8-5+.
What are the key properties of 4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid?
4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid has a molecular weight of 334.80 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2-(4-chlorophenyl)phenyl]ethenyl]benzoic acid is sourced from PubChem (CID 22400848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).