1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol

C13H18OS — CID 66066361

IUPAC1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(O)CC2CC2)cc1
InChIInChI=1S/C13H18OS/c1-10-2-6-13(7-3-10)15-9-12(14)8-11-4-5-11/h2-3,6-7,11-12,14H,4-5,8-9H2,1H3
InChIKeyORCNIEFLGABKIU-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.25
Rot. Bonds5

About 1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol

1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol (PubChem CID 66066361) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol
PubChem CID66066361
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(O)CC2CC2)cc1
InChIInChI=1S/C13H18OS/c1-10-2-6-13(7-3-10)15-9-12(14)8-11-4-5-11/h2-3,6-7,11-12,14H,4-5,8-9H2,1H3
InChIKeyORCNIEFLGABKIU-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol
CID 66142592
1-cyclopropyl-3-phenylsulfanylpropan-2-ol
CID 65142399
1-cyclopropyl-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66066581
1-(4-bromophenyl)sulfanyl-3-(oxan-4-yl)propan-2-ol
CID 66054289
4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol
CID 82920228
1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161084
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66064590
(2S)-1-(4-methylphenyl)sulfanylheptan-2-ol
CID 102244246
1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158873
1-(4-methylphenyl)sulfanylhept-6-en-2-ol
CID 66063998

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol (CID 66066361) is 1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol is Cc1ccc(SCC(O)CC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is ORCNIEFLGABKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-10-2-6-13(7-3-10)15-9-12(14)8-11-4-5-11/h2-3,6-7,11-12,14H,4-5,8-9H2,1H3.
What are the key properties of 1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol?
1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 222.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66066361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).