(4-methylsulfanylphenyl)-(oxan-3-yl)methanol

C13H18O2S — CID 107136272

IUPAC(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
SMILESCSc1ccc(C(O)C2CCCOC2)cc1
InChIInChI=1S/C13H18O2S/c1-16-12-6-4-10(5-7-12)13(14)11-3-2-8-15-9-11/h4-7,11,13-14H,2-3,8-9H2,1H3
InChIKeyLYKUIUBYCFSWKG-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.87
Rot. Bonds3

About (4-methylsulfanylphenyl)-(oxan-3-yl)methanol

(4-methylsulfanylphenyl)-(oxan-3-yl)methanol (PubChem CID 107136272) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-(oxan-3-yl)methanol.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
PubChem CID107136272
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name(4-methylsulfanylphenyl)-(oxan-3-yl)methanol
SMILESCSc1ccc(C(O)C2CCCOC2)cc1
InChIInChI=1S/C13H18O2S/c1-16-12-6-4-10(5-7-12)13(14)11-3-2-8-15-9-11/h4-7,11,13-14H,2-3,8-9H2,1H3
InChIKeyLYKUIUBYCFSWKG-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylsulfanylphenyl)-(oxan-4-yl)methanol
CID 115797647
(4-bromophenyl)-(oxan-3-yl)methanol
CID 63015439
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
N-[(4-methylsulfanylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107137025
oxan-3-yl(thiophen-3-yl)methanol
CID 65099967
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
CID 63360226
(3-bromo-4-fluorophenyl)-(oxan-3-yl)methanol
CID 79746537
oxan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 63015264
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115808482
(3-aminophenyl)-(oxan-3-yl)methanol
CID 107136268
(2,3-difluoro-4-methylphenyl)-(oxan-3-yl)methanol
CID 107512213
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(oxan-3-yl)methanol
CID 107294006

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-(oxan-3-yl)methanol?
The IUPAC name of (4-methylsulfanylphenyl)-(oxan-3-yl)methanol (CID 107136272) is (4-methylsulfanylphenyl)-(oxan-3-yl)methanol.
What is the SMILES notation for (4-methylsulfanylphenyl)-(oxan-3-yl)methanol?
The canonical SMILES for (4-methylsulfanylphenyl)-(oxan-3-yl)methanol is CSc1ccc(C(O)C2CCCOC2)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-(oxan-3-yl)methanol?
The InChIKey is LYKUIUBYCFSWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-16-12-6-4-10(5-7-12)13(14)11-3-2-8-15-9-11/h4-7,11,13-14H,2-3,8-9H2,1H3.
What are the key properties of (4-methylsulfanylphenyl)-(oxan-3-yl)methanol?
(4-methylsulfanylphenyl)-(oxan-3-yl)methanol has a molecular weight of 238.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylphenyl)-(oxan-3-yl)methanol is sourced from PubChem (CID 107136272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).