3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid

C17H16O3 — CID 175058303

IUPAC3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid
SMILESC=C(C(=O)O)C(C)(O)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H16O3/c1-12(16(18)19)17(2,20)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,20H,1H2,2H3,(H,18,19)
InChIKeyQIJYOIVKNRMRGA-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.20
Rot. Bonds4

About 3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid

3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid (PubChem CID 175058303) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid
PubChem CID175058303
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid
SMILESC=C(C(=O)O)C(C)(O)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H16O3/c1-12(16(18)19)17(2,20)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,20H,1H2,2H3,(H,18,19)
InChIKeyQIJYOIVKNRMRGA-UHFFFAOYSA-N
XLogP3.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid?
The IUPAC name of 3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid (CID 175058303) is 3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid?
The canonical SMILES for 3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid is C=C(C(=O)O)C(C)(O)c1ccccc1-c1ccccc1.
What is the InChIKey of 3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid?
The InChIKey is QIJYOIVKNRMRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-12(16(18)19)17(2,20)15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,20H,1H2,2H3,(H,18,19).
What are the key properties of 3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid?
3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid has a molecular weight of 268.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methylidene-3-(2-phenylphenyl)butanoic acid is sourced from PubChem (CID 175058303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).