2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid

C20H20O2 — CID 86102600

IUPAC2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid
SMILESO=C(O)CC1CCC=C1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O2/c21-19(22)14-17-12-7-13-18(17)20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,13,17,20H,7,12,14H2,(H,21,22)
InChIKeyZCPXJPKRTDISMT-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.63
Rot. Bonds5

About 2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid

2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid (PubChem CID 86102600) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid
PubChem CID86102600
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid
SMILESO=C(O)CC1CCC=C1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O2/c21-19(22)14-17-12-7-13-18(17)20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,13,17,20H,7,12,14H2,(H,21,22)
InChIKeyZCPXJPKRTDISMT-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-2-phenylcyclopent-2-en-1-yl]acetic acid
CID 131567740
benzhydrylbenzene;2-sulfanylacetic acid
CID 87429481
3-amino-1-cyclopropyl-3-phenylpropan-1-one
CID 116553143
4-amino-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-one
CID 116553051
2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
CID 115039422
2-[(1S,4E)-8-oxocyclooct-4-en-1-yl]acetic acid
CID 169300305
2-[(1S)-2-oxo-4-phenylcyclohex-3-en-1-yl]acetic acid
CID 92979676
4-cyclopropyl-3-phenylbutanoic acid
CID 19827393
3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900838
(3R)-3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900954
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
(2,2-diphenylacetyl)oxymethyl 2,2-diphenylacetate
CID 15332487

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid?
The IUPAC name of 2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid (CID 86102600) is 2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid.
What is the SMILES notation for 2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid?
The canonical SMILES for 2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid is O=C(O)CC1CCC=C1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid?
The InChIKey is ZCPXJPKRTDISMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c21-19(22)14-17-12-7-13-18(17)20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,13,17,20H,7,12,14H2,(H,21,22).
What are the key properties of 2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid?
2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid has a molecular weight of 292.38 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzhydrylcyclopent-2-en-1-yl)acetic acid is sourced from PubChem (CID 86102600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).