4-[2-(4-methylphenyl)ethenyl]benzoic acid

C16H14O2 — CID 617184

IUPAC4-[2-(4-methylphenyl)ethenyl]benzoic acid
SMILESCc1ccc(C=Cc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H14O2/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16(17)18/h2-11H,1H3,(H,17,18)
InChIKeyCCSHKXPAZNQVCX-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.86
Rot. Bonds3

About 4-[2-(4-methylphenyl)ethenyl]benzoic acid

4-[2-(4-methylphenyl)ethenyl]benzoic acid (PubChem CID 617184) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)ethenyl]benzoic acid
PubChem CID617184
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name4-[2-(4-methylphenyl)ethenyl]benzoic acid
SMILESCc1ccc(C=Cc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H14O2/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16(17)18/h2-11H,1H3,(H,17,18)
InChIKeyCCSHKXPAZNQVCX-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.86
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-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
4-methylbenzaldehyde;4-methylbenzoic acid;1,4-xylene
CID 20553533
indigane;4-methylbenzoic acid
CID 173230327
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
sodium 4-methylbenzoic acid
CID 164511663
4-[(E)-2-[5-[5-[(E)-2-(4-methylphenyl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]benzoic acid
CID 58174933
acetaldehyde;4-methylbenzoic acid
CID 88694515
cobalt;methane;4-methylbenzoic acid;terephthalic acid;1,4-xylene
CID 158793119
acetic acid;4-methylbenzoic acid
CID 68925030
4-[(Z)-prop-1-enyl]benzoic acid
CID 70130780
4-[(1E,3E)-4-(4-carboxyphenyl)buta-1,3-dienyl]benzoic acid
CID 20519037

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)ethenyl]benzoic acid?
The IUPAC name of 4-[2-(4-methylphenyl)ethenyl]benzoic acid (CID 617184) is 4-[2-(4-methylphenyl)ethenyl]benzoic acid.
What is the SMILES notation for 4-[2-(4-methylphenyl)ethenyl]benzoic acid?
The canonical SMILES for 4-[2-(4-methylphenyl)ethenyl]benzoic acid is Cc1ccc(C=Cc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)ethenyl]benzoic acid?
The InChIKey is CCSHKXPAZNQVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16(17)18/h2-11H,1H3,(H,17,18).
What are the key properties of 4-[2-(4-methylphenyl)ethenyl]benzoic acid?
4-[2-(4-methylphenyl)ethenyl]benzoic acid has a molecular weight of 238.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)ethenyl]benzoic acid is sourced from PubChem (CID 617184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).