(1S)-1-(3-chlorophenyl)propan-1-ol

C9H11ClO — CID 11116501

IUPAC(1S)-1-(3-chlorophenyl)propan-1-ol
SMILESCC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3/t9-/m0/s1
InChIKeyAPYGJPRINQKIQF-VIFPVBQESA-N
MW170.64 g/mol
LogP2.78
Rot. Bonds2

About (1S)-1-(3-chlorophenyl)propan-1-ol

(1S)-1-(3-chlorophenyl)propan-1-ol (PubChem CID 11116501) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)propan-1-ol
PubChem CID11116501
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name(1S)-1-(3-chlorophenyl)propan-1-ol
SMILESCC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C9H11ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3/t9-/m0/s1
InChIKeyAPYGJPRINQKIQF-VIFPVBQESA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(3-chlorophenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)propan-1-ol?
The IUPAC name of (1S)-1-(3-chlorophenyl)propan-1-ol (CID 11116501) is (1S)-1-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for (1S)-1-(3-chlorophenyl)propan-1-ol is CC[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)propan-1-ol?
The InChIKey is APYGJPRINQKIQF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)propan-1-ol?
(1S)-1-(3-chlorophenyl)propan-1-ol has a molecular weight of 170.64 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 11116501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).