(1R)-1-cyclopentyl-1-phenylethanol;sulfane

C13H22OS2 — CID 158992083

IUPAC(1R)-1-cyclopentyl-1-phenylethanol;sulfane
SMILESC[C@](O)(c1ccccc1)C1CCCC1.S.S
InChIInChI=1S/C13H18O.2H2S/c1-13(14,12-9-5-6-10-12)11-7-3-2-4-8-11;;/h2-4,7-8,12,14H,5-6,9-10H2,1H3;2*1H2/t13-;;/m0../s1
InChIKeyJQHAYBYKWUABOJ-GXKRWWSZSA-N
MW258.45 g/mol
LogP3.31
Rot. Bonds2

About (1R)-1-cyclopentyl-1-phenylethanol;sulfane

(1R)-1-cyclopentyl-1-phenylethanol;sulfane (PubChem CID 158992083) has the molecular formula C13H22OS2 and a molecular weight of 258.45 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-1-phenylethanol;sulfane.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-1-phenylethanol;sulfane
PubChem CID158992083
Molecular FormulaC13H22OS2
Molecular Weight258.45 g/mol
Exact Mass258.11
IUPAC Name(1R)-1-cyclopentyl-1-phenylethanol;sulfane
SMILESC[C@](O)(c1ccccc1)C1CCCC1.S.S
InChIInChI=1S/C13H18O.2H2S/c1-13(14,12-9-5-6-10-12)11-7-3-2-4-8-11;;/h2-4,7-8,12,14H,5-6,9-10H2,1H3;2*1H2/t13-;;/m0../s1
InChIKeyJQHAYBYKWUABOJ-GXKRWWSZSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-cyclopentyl-1-hydroxyethyl)benzoic acid
CID 115040165
4-(1-cyclohexyl-1-hydroxyethyl)phenol
CID 83075432
1-phenyl-1-piperidin-4-ylethanol
CID 54545036
1-(4-bromophenyl)-1-cycloheptylethanol
CID 82928373
1-cyclohexyl-1-(2-methylphenyl)ethanol
CID 43810036
1-(3-chlorophenyl)-1-cyclohexylethanol
CID 43810110
2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
CID 4068699
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 114794846
(1S)-1-cyclopropyl-1-(3-methylphenyl)ethanol
CID 93311992
1-(oxan-2-yl)-1-phenylethanol
CID 102596007
1-(3-tert-butylphenyl)-1-cyclopropylethanol
CID 91657928

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-1-phenylethanol;sulfane?
The IUPAC name of (1R)-1-cyclopentyl-1-phenylethanol;sulfane (CID 158992083) is (1R)-1-cyclopentyl-1-phenylethanol;sulfane.
What is the SMILES notation for (1R)-1-cyclopentyl-1-phenylethanol;sulfane?
The canonical SMILES for (1R)-1-cyclopentyl-1-phenylethanol;sulfane is C[C@](O)(c1ccccc1)C1CCCC1.S.S.
What is the InChIKey of (1R)-1-cyclopentyl-1-phenylethanol;sulfane?
The InChIKey is JQHAYBYKWUABOJ-GXKRWWSZSA-N. The full InChI is InChI=1S/C13H18O.2H2S/c1-13(14,12-9-5-6-10-12)11-7-3-2-4-8-11;;/h2-4,7-8,12,14H,5-6,9-10H2,1H3;2*1H2/t13-;;/m0../s1.
What are the key properties of (1R)-1-cyclopentyl-1-phenylethanol;sulfane?
(1R)-1-cyclopentyl-1-phenylethanol;sulfane has a molecular weight of 258.45 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-1-phenylethanol;sulfane is sourced from PubChem (CID 158992083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).