1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol

C16H18OS — CID 60722243

IUPAC1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
SMILESCc1ccc(SCC(O)Cc2ccccc2)cc1
InChIInChI=1S/C16H18OS/c1-13-7-9-16(10-8-13)18-12-15(17)11-14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3
InChIKeyFOOXSNQSGIXCKI-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.69
Rot. Bonds5

About 1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol

1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol (PubChem CID 60722243) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
PubChem CID60722243
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
SMILESCc1ccc(SCC(O)Cc2ccccc2)cc1
InChIInChI=1S/C16H18OS/c1-13-7-9-16(10-8-13)18-12-15(17)11-14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3
InChIKeyFOOXSNQSGIXCKI-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66064590
1-(4-ethylphenyl)-3-phenylsulfanylpropan-2-ol
CID 65141825
1-(3,4-dimethylphenyl)-3-phenylsulfanylpropan-2-ol
CID 65142248
2-benzyl-N,N-dimethyl-3-(4-methylphenyl)sulfanylpropan-1-amine
CID 70448173
1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 66143568
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066757
4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol
CID 82920228
1-benzylsulfanyl-4-methylbenzene
CID 10940369
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065578

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol?
The IUPAC name of 1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol (CID 60722243) is 1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol is Cc1ccc(SCC(O)Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol?
The InChIKey is FOOXSNQSGIXCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-13-7-9-16(10-8-13)18-12-15(17)11-14-5-3-2-4-6-14/h2-10,15,17H,11-12H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol?
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol has a molecular weight of 258.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol is sourced from PubChem (CID 60722243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).