(2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol

C13H19ClO3 — CID 144861800

IUPAC(2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol
SMILESCC(C)(O)O[C@H](CO)CCc1ccccc1Cl
InChIInChI=1S/C13H19ClO3/c1-13(2,16)17-11(9-15)8-7-10-5-3-4-6-12(10)14/h3-6,11,15-16H,7-9H2,1-2H3/t11-/m0/s1
InChIKeyYNPMQQRNCMRAPX-NSHDSACASA-N
MW258.74 g/mol
LogP2.38
Rot. Bonds6

About (2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol

(2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol (PubChem CID 144861800) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is (2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name(2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol
PubChem CID144861800
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name(2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol
SMILESCC(C)(O)O[C@H](CO)CCc1ccccc1Cl
InChIInChI=1S/C13H19ClO3/c1-13(2,16)17-11(9-15)8-7-10-5-3-4-6-12(10)14/h3-6,11,15-16H,7-9H2,1-2H3/t11-/m0/s1
InChIKeyYNPMQQRNCMRAPX-NSHDSACASA-N
XLogP2.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-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

Related Compounds

methyl (2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butanoate
CID 144861679
3-[1-(2-chlorophenyl)-3-hydroxypropan-2-yl]oxypentan-3-ol
CID 129084836
2-amino-4-(2-chlorophenyl)butan-1-ol
CID 56656008
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
4-(2-chlorophenyl)-4-(2-hydroxypropan-2-yloxy)butan-1-ol
CID 123599265
3-(2-chlorophenyl)-1-cyclopropylpropan-1-ol
CID 63358080
4-amino-1-(2-chlorophenyl)pentan-3-ol
CID 83924263
3-[(2-chlorophenyl)methylsulfanyl]-2-(methylamino)propan-1-ol
CID 103291354
[3-(2-chlorophenyl)-1-hydroxypropyl] methanesulfonate
CID 22562330
4-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 66996981
1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
CID 142632272
tert-butyl N-[4-(2-chlorophenyl)-1-oxobutan-2-yl]carbamate
CID 84731009

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol?
The IUPAC name of (2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol (CID 144861800) is (2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol.
What is the SMILES notation for (2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol?
The canonical SMILES for (2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol is CC(C)(O)O[C@H](CO)CCc1ccccc1Cl.
What is the InChIKey of (2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol?
The InChIKey is YNPMQQRNCMRAPX-NSHDSACASA-N. The full InChI is InChI=1S/C13H19ClO3/c1-13(2,16)17-11(9-15)8-7-10-5-3-4-6-12(10)14/h3-6,11,15-16H,7-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol?
(2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol has a molecular weight of 258.74 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol is sourced from PubChem (CID 144861800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).