2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol

C14H20O2S — CID 103160778

IUPAC2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol
SMILESOc1ccccc1SCC(O)CC1CCCC1
InChIInChI=1S/C14H20O2S/c15-12(9-11-5-1-2-6-11)10-17-14-8-4-3-7-13(14)16/h3-4,7-8,11-12,15-16H,1-2,5-6,9-10H2
InChIKeyPQZRQBFCWDSLHW-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.43
Rot. Bonds5

About 2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol

2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol (PubChem CID 103160778) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol.

Molecular Properties

Compound Name2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol
PubChem CID103160778
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol
SMILESOc1ccccc1SCC(O)CC1CCCC1
InChIInChI=1S/C14H20O2S/c15-12(9-11-5-1-2-6-11)10-17-14-8-4-3-7-13(14)16/h3-4,7-8,11-12,15-16H,1-2,5-6,9-10H2
InChIKeyPQZRQBFCWDSLHW-UHFFFAOYSA-N
XLogP3.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-phenylsulfanylpropan-2-ol
CID 65142399
1-(2-amino-4-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158833
1-(3-aminophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 103158873
1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol
CID 66142592
2-cyclopentyl-1-phenylethanol
CID 15629098
1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161084
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161079
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097359
1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066361
(2-cyclopentyl-1-phenylethyl)benzene
CID 138978826
2-[(2R)-3-[(3R)-2-amino-3,4-dihydro-2H-1,5-benzoxathiepin-3-yl]-2-hydroxypropyl]sulfanylphenol
CID 154074047

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol?
The IUPAC name of 2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol (CID 103160778) is 2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol.
What is the SMILES notation for 2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol?
The canonical SMILES for 2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol is Oc1ccccc1SCC(O)CC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol?
The InChIKey is PQZRQBFCWDSLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c15-12(9-11-5-1-2-6-11)10-17-14-8-4-3-7-13(14)16/h3-4,7-8,11-12,15-16H,1-2,5-6,9-10H2.
What are the key properties of 2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol?
2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol has a molecular weight of 252.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2-hydroxypropyl)sulfanylphenol is sourced from PubChem (CID 103160778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).