[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol

C10H11ClO — CID 102310526

IUPAC[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol
SMILESOC[C@H]1[C@H](Cl)[C@@H]1c1ccccc1
InChIInChI=1S/C10H11ClO/c11-10-8(6-12)9(10)7-4-2-1-3-5-7/h1-5,8-10,12H,6H2/t8-,9-,10+/m1/s1
InChIKeyIUIOHHMUYIAGBX-BBBLOLIVSA-N
MW182.65 g/mol
LogP2.00
Rot. Bonds2

About [(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol

[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol (PubChem CID 102310526) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is [(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol
PubChem CID102310526
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol
SMILESOC[C@H]1[C@H](Cl)[C@@H]1c1ccccc1
InChIInChI=1S/C10H11ClO/c11-10-8(6-12)9(10)7-4-2-1-3-5-7/h1-5,8-10,12H,6H2/t8-,9-,10+/m1/s1
InChIKeyIUIOHHMUYIAGBX-BBBLOLIVSA-N
XLogP2.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
CID 177492101
[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol
CID 102330777
[(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol
CID 124746466
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
2,3-diphenylcyclopropan-1-ol
CID 15400659
6-(hydroxymethyl)-5-phenylbicyclo[2.2.2]octan-2-one
CID 123952742
[(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol
CID 134999545
[(1S,3R)-2-but-3-enyl-3-phenylcyclopropyl]benzene
CID 10354669
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
(2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
CID 54650611
[(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone
CID 23256387

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol?
The IUPAC name of [(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol (CID 102310526) is [(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol?
The canonical SMILES for [(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol is OC[C@H]1[C@H](Cl)[C@@H]1c1ccccc1.
What is the InChIKey of [(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol?
The InChIKey is IUIOHHMUYIAGBX-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H11ClO/c11-10-8(6-12)9(10)7-4-2-1-3-5-7/h1-5,8-10,12H,6H2/t8-,9-,10+/m1/s1.
What are the key properties of [(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol?
[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol has a molecular weight of 182.65 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol is sourced from PubChem (CID 102310526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).