[2-(3-methylbutylsulfanyl)phenyl]methanol

C12H18OS — CID 91658036

IUPAC[2-(3-methylbutylsulfanyl)phenyl]methanol
SMILESCC(C)CCSc1ccccc1CO
InChIInChI=1S/C12H18OS/c1-10(2)7-8-14-12-6-4-3-5-11(12)9-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyPTEMAQHLYRSKAA-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.32
Rot. Bonds5

About [2-(3-methylbutylsulfanyl)phenyl]methanol

[2-(3-methylbutylsulfanyl)phenyl]methanol (PubChem CID 91658036) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is [2-(3-methylbutylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(3-methylbutylsulfanyl)phenyl]methanol
PubChem CID91658036
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name[2-(3-methylbutylsulfanyl)phenyl]methanol
SMILESCC(C)CCSc1ccccc1CO
InChIInChI=1S/C12H18OS/c1-10(2)7-8-14-12-6-4-3-5-11(12)9-13/h3-6,10,13H,7-9H2,1-2H3
InChIKeyPTEMAQHLYRSKAA-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-(3-methylbutylsulfanyl)benzene
CID 91658466
1-[2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107750875
(2-tert-butylsulfanylphenyl)methanol
CID 63814106
methyl 2-(3-methylbutylsulfanyl)benzoate
CID 91715638
1-imidazol-1-yl-3-[2-(3-methylbutylsulfanyl)phenyl]propan-2-ol
CID 70577720
[2-[methyl(2-methylpropyl)amino]phenyl]methanol
CID 10130329
[3-chloro-4-(3-methylbutylsulfanyl)phenyl]methanol
CID 107762259
2-[2-(aminomethyl)phenyl]sulfanylethanol
CID 63808391
[2-[bis(2-methylpropyl)amino]phenyl]methanol
CID 61378074
[5-(3-methylbutylsulfanyl)-2-nitrophenyl]methanol
CID 114057972
3-[2-(methylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 66126631
1-(2-methylpropylsulfanyl)-2-prop-2-enylbenzene
CID 91655457

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylsulfanyl)phenyl]methanol?
The IUPAC name of [2-(3-methylbutylsulfanyl)phenyl]methanol (CID 91658036) is [2-(3-methylbutylsulfanyl)phenyl]methanol.
What is the SMILES notation for [2-(3-methylbutylsulfanyl)phenyl]methanol?
The canonical SMILES for [2-(3-methylbutylsulfanyl)phenyl]methanol is CC(C)CCSc1ccccc1CO.
What is the InChIKey of [2-(3-methylbutylsulfanyl)phenyl]methanol?
The InChIKey is PTEMAQHLYRSKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-10(2)7-8-14-12-6-4-3-5-11(12)9-13/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of [2-(3-methylbutylsulfanyl)phenyl]methanol?
[2-(3-methylbutylsulfanyl)phenyl]methanol has a molecular weight of 210.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylsulfanyl)phenyl]methanol is sourced from PubChem (CID 91658036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).