1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol

C12H17ClOS — CID 66152395

IUPAC1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol
SMILESCCC(C)C(O)CSc1ccccc1Cl
InChIInChI=1S/C12H17ClOS/c1-3-9(2)11(14)8-15-12-7-5-4-6-10(12)13/h4-7,9,11,14H,3,8H2,1-2H3
InChIKeyKBLVUXOXGCVYBL-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.84
Rot. Bonds5

About 1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol

1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol (PubChem CID 66152395) has the molecular formula C12H17ClOS and a molecular weight of 244.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol
PubChem CID66152395
Molecular FormulaC12H17ClOS
Molecular Weight244.79 g/mol
Exact Mass244.07
IUPAC Name1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol
SMILESCCC(C)C(O)CSc1ccccc1Cl
InChIInChI=1S/C12H17ClOS/c1-3-9(2)11(14)8-15-12-7-5-4-6-10(12)13/h4-7,9,11,14H,3,8H2,1-2H3
InChIKeyKBLVUXOXGCVYBL-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-phenylsulfanylpentan-2-ol
CID 79444974
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1-(2-chlorophenyl)sulfanyl-3-methoxy-3-methylpentan-2-ol
CID 116779676
3-(2-chlorophenyl)sulfanyl-1-cyclopropyl-1-ethoxypropan-2-ol
CID 116732119
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CID 104932240
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2-(2-chlorophenyl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanol
CID 60725965
1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66141352
2-[2-(2-chlorophenyl)sulfanyl-1-hydroxyethyl]phenol
CID 66153915
1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143233
1-[2-(bromomethyl)-3-methylbutyl]sulfanyl-2-chlorobenzene
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1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-ol
CID 114212099

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol?
The IUPAC name of 1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol (CID 66152395) is 1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol.
What is the SMILES notation for 1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol?
The canonical SMILES for 1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol is CCC(C)C(O)CSc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol?
The InChIKey is KBLVUXOXGCVYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClOS/c1-3-9(2)11(14)8-15-12-7-5-4-6-10(12)13/h4-7,9,11,14H,3,8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol?
1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol has a molecular weight of 244.79 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol is sourced from PubChem (CID 66152395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).