2-methylidene-4-(2-phenylphenyl)butanoic acid

C17H16O2 — CID 90170002

IUPAC2-methylidene-4-(2-phenylphenyl)butanoic acid
SMILESC=C(CCc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H16O2/c1-13(17(18)19)11-12-15-9-5-6-10-16(15)14-7-3-2-4-8-14/h2-10H,1,11-12H2,(H,18,19)
InChIKeyVZXDXFCXRAJYDJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.93
Rot. Bonds5

About 2-methylidene-4-(2-phenylphenyl)butanoic acid

2-methylidene-4-(2-phenylphenyl)butanoic acid (PubChem CID 90170002) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-methylidene-4-(2-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name2-methylidene-4-(2-phenylphenyl)butanoic acid
PubChem CID90170002
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-methylidene-4-(2-phenylphenyl)butanoic acid
SMILESC=C(CCc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H16O2/c1-13(17(18)19)11-12-15-9-5-6-10-16(15)14-7-3-2-4-8-14/h2-10H,1,11-12H2,(H,18,19)
InChIKeyVZXDXFCXRAJYDJ-UHFFFAOYSA-N
XLogP3.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.93
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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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-(2-phenylphenyl)butanoic acid?
The IUPAC name of 2-methylidene-4-(2-phenylphenyl)butanoic acid (CID 90170002) is 2-methylidene-4-(2-phenylphenyl)butanoic acid.
What is the SMILES notation for 2-methylidene-4-(2-phenylphenyl)butanoic acid?
The canonical SMILES for 2-methylidene-4-(2-phenylphenyl)butanoic acid is C=C(CCc1ccccc1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-methylidene-4-(2-phenylphenyl)butanoic acid?
The InChIKey is VZXDXFCXRAJYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-13(17(18)19)11-12-15-9-5-6-10-16(15)14-7-3-2-4-8-14/h2-10H,1,11-12H2,(H,18,19).
What are the key properties of 2-methylidene-4-(2-phenylphenyl)butanoic acid?
2-methylidene-4-(2-phenylphenyl)butanoic acid has a molecular weight of 252.31 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-(2-phenylphenyl)butanoic acid is sourced from PubChem (CID 90170002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).