1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol

C14H20O2S — CID 10956055

IUPAC1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
SMILESOCCC(O)C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C14H20O2S/c15-11-8-13(16)14(9-4-5-10-14)17-12-6-2-1-3-7-12/h1-3,6-7,13,15-16H,4-5,8-11H2
InChIKeyBEZLXCDUIRJOMO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.83
Rot. Bonds5

About 1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol

1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol (PubChem CID 10956055) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol.

Molecular Properties

Compound Name1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
PubChem CID10956055
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
SMILESOCCC(O)C1(Sc2ccccc2)CCCC1
InChIInChI=1S/C14H20O2S/c15-11-8-13(16)14(9-4-5-10-14)17-12-6-2-1-3-7-12/h1-3,6-7,13,15-16H,4-5,8-11H2
InChIKeyBEZLXCDUIRJOMO-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Phenylsulfanyl)-2-octanol
CID 11276474
2,2-Dimethyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
CID 10912935
(2R)-1-(4-methylphenyl)sulfanyloctan-2-ol
CID 11064924
1-(1-Phenylsulfanylcyclohexyl)butane-1,4-diol
CID 11242975
2-Methyl-2-phenylsulfanylheptan-3-ol
CID 11356852
(1R)-2-(benzenesulfonyl)-1-cyclohexylethanol
CID 12958388
(1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
CID 14120595
trans-(1S,2S)-2-(4-methylphenyl)sulfanylcyclopentan-1-ol
CID 100924602
3-Phenyl-3-(phenylthio)propan-1-ol
CID 12422970
6-[4-(Trifluoromethylsulfanyl)phenyl]hexane-2,4-diol
CID 67794204
(2R,3S)-5-[2-(4-fluorophenyl)sulfanylethyl]-2-(hydroxymethyl)thiolan-3-ol
CID 163694131
(1R,3R,4R)-4-[(3R)-4-(2-fluorophenyl)sulfanyl-3-hydroxybutyl]cyclopentane-1,3-diol
CID 163950424

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol?
The IUPAC name of 1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol (CID 10956055) is 1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol.
What is the SMILES notation for 1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol?
The canonical SMILES for 1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol is OCCC(O)C1(Sc2ccccc2)CCCC1.
What is the InChIKey of 1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol?
The InChIKey is BEZLXCDUIRJOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c15-11-8-13(16)14(9-4-5-10-14)17-12-6-2-1-3-7-12/h1-3,6-7,13,15-16H,4-5,8-11H2.
What are the key properties of 1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol?
1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol has a molecular weight of 252.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol is sourced from PubChem (CID 10956055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).