(1R)-3-chloro-1-phenylpropan-1-ol

C9H11ClO — CID 642409

IUPAC(1R)-3-chloro-1-phenylpropan-1-ol
SMILESO[C@H](CCCl)c1ccccc1
InChIInChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1
InChIKeyJZFUHAGLMZWKTF-SECBINFHSA-N
MW170.64 g/mol
LogP2.35
Rot. Bonds3

About (1R)-3-chloro-1-phenylpropan-1-ol

(1R)-3-chloro-1-phenylpropan-1-ol (PubChem CID 642409) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is (1R)-3-chloro-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-chloro-1-phenylpropan-1-ol
PubChem CID642409
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name(1R)-3-chloro-1-phenylpropan-1-ol
SMILESO[C@H](CCCl)c1ccccc1
InChIInChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1
InChIKeyJZFUHAGLMZWKTF-SECBINFHSA-N
XLogP2.35
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 ≤ 52.35
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 (1R)-3-chloro-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-chloro-1-phenylpropan-1-ol (CID 642409) is (1R)-3-chloro-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-chloro-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-chloro-1-phenylpropan-1-ol is O[C@H](CCCl)c1ccccc1.
What is the InChIKey of (1R)-3-chloro-1-phenylpropan-1-ol?
The InChIKey is JZFUHAGLMZWKTF-SECBINFHSA-N. The full InChI is InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1.
What are the key properties of (1R)-3-chloro-1-phenylpropan-1-ol?
(1R)-3-chloro-1-phenylpropan-1-ol has a molecular weight of 170.64 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-chloro-1-phenylpropan-1-ol is sourced from PubChem (CID 642409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).