(2S)-2-chloro-3-phenylpropan-1-ol

C9H11ClO — CID 54463220

IUPAC(2S)-2-chloro-3-phenylpropan-1-ol
SMILESOC[C@@H](Cl)Cc1ccccc1
InChIInChI=1S/C9H11ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1
InChIKeyXDBGCROHSUMXHQ-VIFPVBQESA-N
MW170.64 g/mol
LogP1.83
Rot. Bonds3

About (2S)-2-chloro-3-phenylpropan-1-ol

(2S)-2-chloro-3-phenylpropan-1-ol (PubChem CID 54463220) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is (2S)-2-chloro-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-chloro-3-phenylpropan-1-ol
PubChem CID54463220
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name(2S)-2-chloro-3-phenylpropan-1-ol
SMILESOC[C@@H](Cl)Cc1ccccc1
InChIInChI=1S/C9H11ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1
InChIKeyXDBGCROHSUMXHQ-VIFPVBQESA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-chloro-3-phenylpropan-1-ol (CID 54463220) is (2S)-2-chloro-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-chloro-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-chloro-3-phenylpropan-1-ol is OC[C@@H](Cl)Cc1ccccc1.
What is the InChIKey of (2S)-2-chloro-3-phenylpropan-1-ol?
The InChIKey is XDBGCROHSUMXHQ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1.
What are the key properties of (2S)-2-chloro-3-phenylpropan-1-ol?
(2S)-2-chloro-3-phenylpropan-1-ol has a molecular weight of 170.64 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-3-phenylpropan-1-ol is sourced from PubChem (CID 54463220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).