3-(4-methyl-2-phenylphenyl)prop-2-enoic acid

C16H14O2 — CID 151863376

IUPAC3-(4-methyl-2-phenylphenyl)prop-2-enoic acid
SMILESCc1ccc(C=CC(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C16H14O2/c1-12-7-8-14(9-10-16(17)18)15(11-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKeySLDZJNYKBJFPQE-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.76
Rot. Bonds3

About 3-(4-methyl-2-phenylphenyl)prop-2-enoic acid

3-(4-methyl-2-phenylphenyl)prop-2-enoic acid (PubChem CID 151863376) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(4-methyl-2-phenylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(4-methyl-2-phenylphenyl)prop-2-enoic acid
PubChem CID151863376
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name3-(4-methyl-2-phenylphenyl)prop-2-enoic acid
SMILESCc1ccc(C=CC(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C16H14O2/c1-12-7-8-14(9-10-16(17)18)15(11-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)
InChIKeySLDZJNYKBJFPQE-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2-phenylphenyl)prop-2-enoic acid
CID 19261531
(E)-3-(4-nitro-2-phenylphenyl)prop-2-enoic acid
CID 68978009
(E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid
CID 135366690
3-(2-formyl-5-methylphenyl)prop-2-enoic acid
CID 169460428
(E)-3-[2-(3-fluorophenyl)-4-methylphenyl]prop-2-enamide
CID 170399726
(E)-3-(2-methoxy-4-methylphenyl)(113C)prop-2-enoic acid
CID 42638699
(E)-3-(2-chloro-5-methylphenyl)prop-2-enoic acid
CID 21495548
3-(5-methyl-2-sulfanylphenyl)prop-2-enoic acid
CID 73178070
3-(2-cyano-4-methylphenyl)prop-2-enoic acid
CID 67162304
(E)-3-[3-(3-methylphenyl)phenyl]prop-2-enoic acid
CID 87253241
(E)-3-(4-methyl-2-propanoylphenyl)prop-2-enoic acid
CID 134615397
(E)-3-(2-methylacridin-9-yl)prop-2-enoic acid
CID 170872205

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-phenylphenyl)prop-2-enoic acid?
The IUPAC name of 3-(4-methyl-2-phenylphenyl)prop-2-enoic acid (CID 151863376) is 3-(4-methyl-2-phenylphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(4-methyl-2-phenylphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(4-methyl-2-phenylphenyl)prop-2-enoic acid is Cc1ccc(C=CC(=O)O)c(-c2ccccc2)c1.
What is the InChIKey of 3-(4-methyl-2-phenylphenyl)prop-2-enoic acid?
The InChIKey is SLDZJNYKBJFPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-12-7-8-14(9-10-16(17)18)15(11-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18).
What are the key properties of 3-(4-methyl-2-phenylphenyl)prop-2-enoic acid?
3-(4-methyl-2-phenylphenyl)prop-2-enoic acid has a molecular weight of 238.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-phenylphenyl)prop-2-enoic acid is sourced from PubChem (CID 151863376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).