2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol

C12H16O — CID 102315759

IUPAC2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol
SMILESCC(C)(O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C12H16O/c1-12(2,13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11,13H,8H2,1-2H3/t10-,11+/m1/s1
InChIKeyNBUOGRRGXCXCOG-MNOVXSKESA-N
MW176.26 g/mol
LogP2.56
Rot. Bonds2

About 2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol

2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol (PubChem CID 102315759) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol.

Molecular Properties

Compound Name2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol
PubChem CID102315759
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol
SMILESCC(C)(O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C12H16O/c1-12(2,13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11,13H,8H2,1-2H3/t10-,11+/m1/s1
InChIKeyNBUOGRRGXCXCOG-MNOVXSKESA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-2-tert-butylcyclopropyl]benzene
CID 59541250
1-(2-fluorophenyl)-1-(2-phenylcyclopropyl)ethanol
CID 116516707
2-phenyl-2-(2-phenylcyclopropyl)butan-1-ol
CID 116518430
1-(4-methoxyphenyl)-2-(2-phenylcyclopropyl)propan-2-ol
CID 116516743
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
N-ethyl-2-methyl-2-(2-phenylcyclopropyl)butan-1-amine
CID 116518083
diphenyl-[(1S,2S)-2-pyridin-4-ylcyclopropyl]methanol
CID 92533340
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2-methyl-2-(2-phenylcyclopropyl)sulfanylpropanoic acid
CID 116516565
2-(4-phenylpiperidin-2-yl)propan-2-ol
CID 12560551
2-methyl-2-phenyl-1-(2-phenylcyclopropyl)propan-1-one
CID 116517019
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol?
The IUPAC name of 2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol (CID 102315759) is 2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol.
What is the SMILES notation for 2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol?
The canonical SMILES for 2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol is CC(C)(O)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol?
The InChIKey is NBUOGRRGXCXCOG-MNOVXSKESA-N. The full InChI is InChI=1S/C12H16O/c1-12(2,13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11,13H,8H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol?
2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol has a molecular weight of 176.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-phenylcyclopropyl]propan-2-ol is sourced from PubChem (CID 102315759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).