(2S)-2-(3-methylsulfanylphenyl)pentan-2-ol

C12H18OS — CID 97294313

IUPAC(2S)-2-(3-methylsulfanylphenyl)pentan-2-ol
SMILESCCC[C@](C)(O)c1cccc(SC)c1
InChIInChI=1S/C12H18OS/c1-4-8-12(2,13)10-6-5-7-11(9-10)14-3/h5-7,9,13H,4,8H2,1-3H3/t12-/m0/s1
InChIKeyLNESDCWOWKOKDD-LBPRGKRZSA-N
MW210.34 g/mol
LogP3.42
Rot. Bonds4

About (2S)-2-(3-methylsulfanylphenyl)pentan-2-ol

(2S)-2-(3-methylsulfanylphenyl)pentan-2-ol (PubChem CID 97294313) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is (2S)-2-(3-methylsulfanylphenyl)pentan-2-ol.

Molecular Properties

Compound Name(2S)-2-(3-methylsulfanylphenyl)pentan-2-ol
PubChem CID97294313
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name(2S)-2-(3-methylsulfanylphenyl)pentan-2-ol
SMILESCCC[C@](C)(O)c1cccc(SC)c1
InChIInChI=1S/C12H18OS/c1-4-8-12(2,13)10-6-5-7-11(9-10)14-3/h5-7,9,13H,4,8H2,1-3H3/t12-/m0/s1
InChIKeyLNESDCWOWKOKDD-LBPRGKRZSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpentan-2-yl)-3-methylsulfanylbenzene
CID 138736079
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
(2R)-2-(3-methylphenyl)pentan-2-ol
CID 93299051
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517
3-(2-hydroxyhexan-2-yl)phenol
CID 21280529
(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
CID 97048457
(2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid
CID 130721988
(2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride
CID 162309732
2-(3-tert-butylphenyl)butan-2-ol
CID 91655645
2-(3-bromophenyl)nonan-2-ol
CID 65144812
2-methyl-4-(3-methylsulfanylphenyl)but-3-yn-2-ol
CID 14637728

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylsulfanylphenyl)pentan-2-ol?
The IUPAC name of (2S)-2-(3-methylsulfanylphenyl)pentan-2-ol (CID 97294313) is (2S)-2-(3-methylsulfanylphenyl)pentan-2-ol.
What is the SMILES notation for (2S)-2-(3-methylsulfanylphenyl)pentan-2-ol?
The canonical SMILES for (2S)-2-(3-methylsulfanylphenyl)pentan-2-ol is CCC[C@](C)(O)c1cccc(SC)c1.
What is the InChIKey of (2S)-2-(3-methylsulfanylphenyl)pentan-2-ol?
The InChIKey is LNESDCWOWKOKDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18OS/c1-4-8-12(2,13)10-6-5-7-11(9-10)14-3/h5-7,9,13H,4,8H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-(3-methylsulfanylphenyl)pentan-2-ol?
(2S)-2-(3-methylsulfanylphenyl)pentan-2-ol has a molecular weight of 210.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylsulfanylphenyl)pentan-2-ol is sourced from PubChem (CID 97294313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).