4-(4-ethenylphenyl)benzoic acid

C15H12O2 — CID 10955203

IUPAC4-(4-ethenylphenyl)benzoic acid
SMILESC=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H12O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h2-10H,1H2,(H,16,17)
InChIKeySCKVFPZOAAZITB-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.69
Rot. Bonds3

About 4-(4-ethenylphenyl)benzoic acid

4-(4-ethenylphenyl)benzoic acid (PubChem CID 10955203) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(4-ethenylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-ethenylphenyl)benzoic acid
PubChem CID10955203
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name4-(4-ethenylphenyl)benzoic acid
SMILESC=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C15H12O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h2-10H,1H2,(H,16,17)
InChIKeySCKVFPZOAAZITB-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethenylbenzoic acid;silver
CID 58108047
4-ethenylbenzoic acid;styrene
CID 22341601
4-[4-[3,5-bis[4-(4-formylphenyl)phenyl]phenyl]phenyl]benzoic acid
CID 90463094
bis(prop-1-ene);terephthalic acid
CID 159254525
4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
4-[(E)-3-oxo-3-phenylprop-1-enyl]benzoic acid;styrene
CID 174464147
4-phenylbenzoic acid;prop-2-enamide
CID 68663596
ethene;terephthalic acid
CID 18755810
terephthalic acid
CID 160582437
ethene;prop-1-ene;terephthalic acid
CID 70629697
silver 4-ethenylbenzoate
CID 86649830
but-3-enoic acid;terephthalic acid
CID 158519909

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylphenyl)benzoic acid?
The IUPAC name of 4-(4-ethenylphenyl)benzoic acid (CID 10955203) is 4-(4-ethenylphenyl)benzoic acid.
What is the SMILES notation for 4-(4-ethenylphenyl)benzoic acid?
The canonical SMILES for 4-(4-ethenylphenyl)benzoic acid is C=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-ethenylphenyl)benzoic acid?
The InChIKey is SCKVFPZOAAZITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h2-10H,1H2,(H,16,17).
What are the key properties of 4-(4-ethenylphenyl)benzoic acid?
4-(4-ethenylphenyl)benzoic acid has a molecular weight of 224.26 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylphenyl)benzoic acid is sourced from PubChem (CID 10955203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).