1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone

C18H18O2 — CID 600252

IUPAC1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H18O2/c19-16(13-14-7-3-1-4-8-14)18(11-12-18)17(20)15-9-5-2-6-10-15/h1-10,17,20H,11-13H2
InChIKeyUVDJKBSDQHHLOZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.31
Rot. Bonds5

About 1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone

1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone (PubChem CID 600252) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone
PubChem CID600252
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H18O2/c19-16(13-14-7-3-1-4-8-14)18(11-12-18)17(20)15-9-5-2-6-10-15/h1-10,17,20H,11-13H2
InChIKeyUVDJKBSDQHHLOZ-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone 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

(3S,6R)-1,3,6,8-tetraphenyloctane-2,4,5,7-tetrone
CID 124578428
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539
1,1-difluorocyclopropane;2-phenylacetic acid
CID 165403189
2,2-dimethyl-1-[1-(2-phenylacetyl)cyclopropyl]propan-1-one
CID 160648622
1-[hydroxy(pyridin-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836352
2-phenyl-1-(4-phenyloxan-4-yl)ethanone
CID 63082189
hydroxy-dioxido-(2-phenylacetyl)phosphanium
CID 136773120
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-[8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 144944742
2-phenyl-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethanone
CID 7054018
1-(1-aminocyclopentyl)-3-phenylpropan-2-one
CID 116578581
2-hydroxy-3-oxo-4-phenylbutanoic acid
CID 151330520

Frequently Asked Questions

What is the IUPAC name of 1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone?
The IUPAC name of 1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone (CID 600252) is 1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone.
What is the SMILES notation for 1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone?
The canonical SMILES for 1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone is O=C(Cc1ccccc1)C1(C(O)c2ccccc2)CC1.
What is the InChIKey of 1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone?
The InChIKey is UVDJKBSDQHHLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-16(13-14-7-3-1-4-8-14)18(11-12-18)17(20)15-9-5-2-6-10-15/h1-10,17,20H,11-13H2.
What are the key properties of 1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone?
1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone has a molecular weight of 266.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[hydroxy(phenyl)methyl]cyclopropyl]-2-phenylethanone is sourced from PubChem (CID 600252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).