(1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol

C13H18O2S — CID 134928244

IUPAC(1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol
SMILESCCC[C@@H](O)[C@H]1CO[C@@H]1Sc1ccccc1
InChIInChI=1S/C13H18O2S/c1-2-6-12(14)11-9-15-13(11)16-10-7-4-3-5-8-10/h3-5,7-8,11-14H,2,6,9H2,1H3/t11-,12-,13-/m1/s1
InChIKeyHJZQSVPJVPJHMJ-JHJVBQTASA-N
MW238.35 g/mol
LogP2.91
Rot. Bonds5

About (1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol

(1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol (PubChem CID 134928244) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol
PubChem CID134928244
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol
SMILESCCC[C@@H](O)[C@H]1CO[C@@H]1Sc1ccccc1
InChIInChI=1S/C13H18O2S/c1-2-6-12(14)11-9-15-13(11)16-10-7-4-3-5-8-10/h3-5,7-8,11-14H,2,6,9H2,1H3/t11-,12-,13-/m1/s1
InChIKeyHJZQSVPJVPJHMJ-JHJVBQTASA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol?
The IUPAC name of (1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol (CID 134928244) is (1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol.
What is the SMILES notation for (1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol?
The canonical SMILES for (1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol is CCC[C@@H](O)[C@H]1CO[C@@H]1Sc1ccccc1.
What is the InChIKey of (1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol?
The InChIKey is HJZQSVPJVPJHMJ-JHJVBQTASA-N. The full InChI is InChI=1S/C13H18O2S/c1-2-6-12(14)11-9-15-13(11)16-10-7-4-3-5-8-10/h3-5,7-8,11-14H,2,6,9H2,1H3/t11-,12-,13-/m1/s1.
What are the key properties of (1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol?
(1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,3R)-2-phenylsulfanyloxetan-3-yl]butan-1-ol is sourced from PubChem (CID 134928244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).