1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one

C15H20O2 — CID 73294048

IUPAC1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]1[C@@H](C)O
InChIInChI=1S/C15H20O2/c1-9(2)15(17)14-12(10(3)16)13(14)11-7-5-4-6-8-11/h4-10,12-14,16H,1-3H3/t10-,12-,13+,14+/m1/s1
InChIKeyOOHGYNQFDABVOQ-ZZVYKPCYSA-N
MW232.32 g/mol
LogP2.62
Rot. Bonds4

About 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one

1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one (PubChem CID 73294048) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one
PubChem CID73294048
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]1[C@@H](C)O
InChIInChI=1S/C15H20O2/c1-9(2)15(17)14-12(10(3)16)13(14)11-7-5-4-6-8-11/h4-10,12-14,16H,1-3H3/t10-,12-,13+,14+/m1/s1
InChIKeyOOHGYNQFDABVOQ-ZZVYKPCYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one 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

[(1S,2S,3R)-2-[(1S)-1-hydroxyethyl]-3-phenylcyclopropyl]-piperidin-1-ylmethanone
CID 139093014
(1S)-1-[(1S,2S)-2-(4-methylphenyl)-3-phenylcyclopropyl]ethanol
CID 134942800
N,N-dimethyl-2-phenyl-3-propan-2-ylcyclopropane-1-carboxamide
CID 164769743
1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
CID 101070996
(1R,2R,3R)-2-[(R)-amino(carboxy)methyl]-3-phenylcyclopropane-1-carboxylic acid
CID 10681240
[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-methylcyclopropyl]-phenylmethanone
CID 73293861
2-methyl-3-phenylcyclopropane-1-carboxylic acid
CID 83481885
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
2-methyl-1-[(2S,3R)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59054861
2-methyl-1-[(2S,3S)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59969688
cis-(2S,4R)-2,4-diphenyl-3-propan-2-yloxycarbonylcyclobutane-1-carboxylate
CID 6923547
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one?
The IUPAC name of 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one (CID 73294048) is 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one is CC(C)C(=O)[C@@H]1[C@@H](c2ccccc2)[C@H]1[C@@H](C)O.
What is the InChIKey of 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one?
The InChIKey is OOHGYNQFDABVOQ-ZZVYKPCYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9(2)15(17)14-12(10(3)16)13(14)11-7-5-4-6-8-11/h4-10,12-14,16H,1-3H3/t10-,12-,13+,14+/m1/s1.
What are the key properties of 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one?
1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one has a molecular weight of 232.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-2-methylpropan-1-one is sourced from PubChem (CID 73294048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).