1-(4-methylsulfanylphenyl)propan-1-ol

C10H14OS — CID 55269333

IUPAC1-(4-methylsulfanylphenyl)propan-1-ol
SMILESCCC(O)c1ccc(SC)cc1
InChIInChI=1S/C10H14OS/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10-11H,3H2,1-2H3
InChIKeyQEFRVWYUEKHSJO-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-methylsulfanylphenyl)propan-1-ol

1-(4-methylsulfanylphenyl)propan-1-ol (PubChem CID 55269333) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)propan-1-ol
PubChem CID55269333
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-(4-methylsulfanylphenyl)propan-1-ol
SMILESCCC(O)c1ccc(SC)cc1
InChIInChI=1S/C10H14OS/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10-11H,3H2,1-2H3
InChIKeyQEFRVWYUEKHSJO-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[1-[4-(1-hydroxypropyl)phenyl]propyl]phenyl]propan-1-ol
CID 174900127
1-butan-2-yl-4-methylsulfanylbenzene;ethane
CID 143774583
1-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 172687995
2-(3,5-dimethylphenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 114980284
(1R)-1-(4-methylphenyl)propan-1-ol;propane
CID 144859103
2-(2-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanol
CID 79206674
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
(4-methylsulfanylphenyl)-(4-propylphenyl)methanol
CID 79217067
1-(6-methylsulfanyl-3-pyridinyl)propan-1-ol
CID 102546555
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198
(1R)-1-[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-ol
CID 114066477
1-phenylpropan-1-ol;hydrate
CID 156782934

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 1-(4-methylsulfanylphenyl)propan-1-ol (CID 55269333) is 1-(4-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 1-(4-methylsulfanylphenyl)propan-1-ol is CCC(O)c1ccc(SC)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)propan-1-ol?
The InChIKey is QEFRVWYUEKHSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10-11H,3H2,1-2H3.
What are the key properties of 1-(4-methylsulfanylphenyl)propan-1-ol?
1-(4-methylsulfanylphenyl)propan-1-ol has a molecular weight of 182.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 55269333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).