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

C16H14O2 — CID 68509720

IUPAC2-methyl-3-(3-phenylphenyl)prop-2-enoic acid
SMILESCC(=Cc1cccc(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C16H14O2/c1-12(16(17)18)10-13-6-5-9-15(11-13)14-7-3-2-4-8-14/h2-11H,1H3,(H,17,18)
InChIKeyLAMKGBQVIMKIOR-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.84
Rot. Bonds3

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

2-methyl-3-(3-phenylphenyl)prop-2-enoic acid (PubChem CID 68509720) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-methyl-3-(3-phenylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-methyl-3-(3-phenylphenyl)prop-2-enoic acid
PubChem CID68509720
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2-methyl-3-(3-phenylphenyl)prop-2-enoic acid
SMILESCC(=Cc1cccc(-c2ccccc2)c1)C(=O)O
InChIInChI=1S/C16H14O2/c1-12(16(17)18)10-13-6-5-9-15(11-13)14-7-3-2-4-8-14/h2-11H,1H3,(H,17,18)
InChIKeyLAMKGBQVIMKIOR-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
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

(E)-2-methyl-3-(3-phenylphenyl)prop-2-enamide
CID 127034031
(E)-3-[3-(2-fluorophenyl)phenyl]-2-methylprop-2-enoic acid
CID 170873482
(E)-3-(3-aminophenyl)-2-methylprop-2-enoic acid
CID 15103268
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
CID 131513172
(E)-3-(3-ethylphenyl)-2-methylprop-2-enoic acid
CID 135263218
3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
3-(3-cyclopropylphenyl)-2-methylprop-2-enoic acid
CID 79984292
(E)-3-methyl-4-(4-phenylphenyl)but-3-en-2-one
CID 6040789
(E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one
CID 6394466
2-methyl-3-phenylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 67448795
3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid
CID 66902963
(E)-3-methyl-2-oxo-4-phenylbut-3-enoic acid
CID 15110556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-phenylphenyl)prop-2-enoic acid?
The IUPAC name of 2-methyl-3-(3-phenylphenyl)prop-2-enoic acid (CID 68509720) is 2-methyl-3-(3-phenylphenyl)prop-2-enoic acid.
What is the SMILES notation for 2-methyl-3-(3-phenylphenyl)prop-2-enoic acid?
The canonical SMILES for 2-methyl-3-(3-phenylphenyl)prop-2-enoic acid is CC(=Cc1cccc(-c2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-methyl-3-(3-phenylphenyl)prop-2-enoic acid?
The InChIKey is LAMKGBQVIMKIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-12(16(17)18)10-13-6-5-9-15(11-13)14-7-3-2-4-8-14/h2-11H,1H3,(H,17,18).
What are the key properties of 2-methyl-3-(3-phenylphenyl)prop-2-enoic acid?
2-methyl-3-(3-phenylphenyl)prop-2-enoic acid has a molecular weight of 238.29 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-phenylphenyl)prop-2-enoic acid is sourced from PubChem (CID 68509720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).