(1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol

C13H16OS — CID 131843099

IUPAC(1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol
SMILESCC1=C(Sc2ccccc2)C[C@@H](C)[C@H]1O
InChIInChI=1S/C13H16OS/c1-9-8-12(10(2)13(9)14)15-11-6-4-3-5-7-11/h3-7,9,13-14H,8H2,1-2H3/t9-,13-/m1/s1
InChIKeyGTVQJTUZIVPOHA-NOZJJQNGSA-N
MW220.34 g/mol
LogP3.45
Rot. Bonds2

About (1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol

(1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol (PubChem CID 131843099) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is (1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol
PubChem CID131843099
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name(1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol
SMILESCC1=C(Sc2ccccc2)C[C@@H](C)[C@H]1O
InChIInChI=1S/C13H16OS/c1-9-8-12(10(2)13(9)14)15-11-6-4-3-5-7-11/h3-7,9,13-14H,8H2,1-2H3/t9-,13-/m1/s1
InChIKeyGTVQJTUZIVPOHA-NOZJJQNGSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene
CID 24977178
3-methyl-4-phenylsulfanyl-2,5-dihydrothiophene 1,1-dioxide
CID 13380169
1,4-bis(phenylsulfanyl)benzene;ethane;tritiomethane
CID 158378208
1-methyl-4-(2-phenylsulfanylcyclobuten-1-yl)benzene
CID 10377541
CID 66690055
CID 66690055
N-(4-acetyl-2-phenylsulfanylcyclohexen-1-yl)acetamide
CID 10779804
methoxymethane;phenylsulfanylbenzene
CID 175087336
(1R,2R,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 11644249
8-phenylsulfanyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 102040121
(1S,2S,4S)-6-(3-phenylsulfanylphenyl)cyclohex-5-ene-1,2,4-triol
CID 138692874
2-(4-phenylsulfanylphenyl)propanoic acid
CID 67801946
2-methyl-1-phenylsulfanyloxan-1-ium-4-ol
CID 87480226

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol?
The IUPAC name of (1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol (CID 131843099) is (1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol.
What is the SMILES notation for (1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol?
The canonical SMILES for (1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol is CC1=C(Sc2ccccc2)C[C@@H](C)[C@H]1O.
What is the InChIKey of (1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol?
The InChIKey is GTVQJTUZIVPOHA-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H16OS/c1-9-8-12(10(2)13(9)14)15-11-6-4-3-5-7-11/h3-7,9,13-14H,8H2,1-2H3/t9-,13-/m1/s1.
What are the key properties of (1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol?
(1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol has a molecular weight of 220.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol is sourced from PubChem (CID 131843099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).