1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol

C13H17ClO2S — CID 66147924

IUPAC1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol
SMILESOC(CSc1cccc(Cl)c1)CC1CCCO1
InChIInChI=1S/C13H17ClO2S/c14-10-3-1-5-13(7-10)17-9-11(15)8-12-4-2-6-16-12/h1,3,5,7,11-12,15H,2,4,6,8-9H2
InChIKeyLLIPQYPBRYTRMX-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.36
Rot. Bonds5

About 1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol

1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol (PubChem CID 66147924) has the molecular formula C13H17ClO2S and a molecular weight of 272.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol
PubChem CID66147924
Molecular FormulaC13H17ClO2S
Molecular Weight272.80 g/mol
Exact Mass272.06
IUPAC Name1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol
SMILESOC(CSc1cccc(Cl)c1)CC1CCCO1
InChIInChI=1S/C13H17ClO2S/c14-10-3-1-5-13(7-10)17-9-11(15)8-12-4-2-6-16-12/h1,3,5,7,11-12,15H,2,4,6,8-9H2
InChIKeyLLIPQYPBRYTRMX-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfanyl-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 66146011
2-(3-chlorophenyl)-3-(oxolan-2-yl)propan-1-amine
CID 79443640
4-(3-chlorophenyl)sulfanylbutane-1,3-diol
CID 104827170
1-(3-bromophenyl)sulfanyl-3-(3-chlorophenyl)sulfanylpropan-2-ol
CID 66160238
2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 79443477
2-(3-chlorophenyl)sulfanyloxolane
CID 131089658
1-(3-chlorophenyl)sulfanyl-4-(diethylamino)butan-2-ol
CID 66148129
1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 62607059
2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanol
CID 66148345
1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
4-chloro-2-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495939

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol (CID 66147924) is 1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol is OC(CSc1cccc(Cl)c1)CC1CCCO1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol?
The InChIKey is LLIPQYPBRYTRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2S/c14-10-3-1-5-13(7-10)17-9-11(15)8-12-4-2-6-16-12/h1,3,5,7,11-12,15H,2,4,6,8-9H2.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol?
1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol has a molecular weight of 272.80 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-3-(oxolan-2-yl)propan-2-ol is sourced from PubChem (CID 66147924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).