2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid

C21H16O2 — CID 46868614

IUPAC2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16O2/c22-21(23)20-9-5-4-8-19(20)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-15H,(H,22,23)/b15-12+
InChIKeySKCCLVKULKAJKU-NTCAYCPXSA-N
MW300.36 g/mol
LogP5.22
Rot. Bonds4

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

2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid (PubChem CID 46868614) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid.

Molecular Properties

Compound Name2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid
PubChem CID46868614
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid
SMILESO=C(O)c1ccccc1/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16O2/c22-21(23)20-9-5-4-8-19(20)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-15H,(H,22,23)/b15-12+
InChIKeySKCCLVKULKAJKU-NTCAYCPXSA-N
XLogP5.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.22
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

2-[2-(4-cyanophenyl)ethenyl]benzoic acid
CID 54428539
2-[2-[4-[(dimethylamino)methyl]phenyl]ethenyl]benzoic acid
CID 66996652
2-[2-(2-bromophenyl)ethenyl]benzoic acid
CID 54475842
1-phenyl-2-[2-(2-phenylethenyl)phenyl]ethane-1,2-dione
CID 141311966
2-[2-(3,4-dimethoxyphenyl)ethenyl]benzoic acid
CID 54188462
2-[3-oxo-3-(3-phenylprop-2-enoyloxy)prop-1-enyl]benzoic acid
CID 173274386
2-[(1E)-buta-1,3-dienyl]benzoic acid
CID 20520746
2-[2-(2-phenylethenyl)phenyl]but-2-enoic acid
CID 67279232
5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
CID 54231084
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
2-but-1-enylbenzoic acid
CID 66860810
2-[(E)-3,3,3-trifluoroprop-1-enyl]benzoic acid
CID 125476108

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid?
The IUPAC name of 2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid (CID 46868614) is 2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid.
What is the SMILES notation for 2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid?
The canonical SMILES for 2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid is O=C(O)c1ccccc1/C=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid?
The InChIKey is SKCCLVKULKAJKU-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H16O2/c22-21(23)20-9-5-4-8-19(20)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-15H,(H,22,23)/b15-12+.
What are the key properties of 2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid?
2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid has a molecular weight of 300.36 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid is sourced from PubChem (CID 46868614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).