(1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol

C15H22OS — CID 78951607

IUPAC(1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
SMILESCC1CCCC(Sc2ccccc2[C@@H](C)O)C1
InChIInChI=1S/C15H22OS/c1-11-6-5-7-13(10-11)17-15-9-4-3-8-14(15)12(2)16/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3/t11?,12-,13?/m1/s1
InChIKeyULNGIHBIWVCSNS-OTTFEQOBSA-N
MW250.41 g/mol
LogP4.41
Rot. Bonds3

About (1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol

(1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol (PubChem CID 78951607) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is (1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
PubChem CID78951607
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name(1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
SMILESCC1CCCC(Sc2ccccc2[C@@H](C)O)C1
InChIInChI=1S/C15H22OS/c1-11-6-5-7-13(10-11)17-15-9-4-3-8-14(15)12(2)16/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3/t11?,12-,13?/m1/s1
InChIKeyULNGIHBIWVCSNS-OTTFEQOBSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol?
The IUPAC name of (1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol (CID 78951607) is (1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol is CC1CCCC(Sc2ccccc2[C@@H](C)O)C1.
What is the InChIKey of (1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol?
The InChIKey is ULNGIHBIWVCSNS-OTTFEQOBSA-N. The full InChI is InChI=1S/C15H22OS/c1-11-6-5-7-13(10-11)17-15-9-4-3-8-14(15)12(2)16/h3-4,8-9,11-13,16H,5-7,10H2,1-2H3/t11?,12-,13?/m1/s1.
What are the key properties of (1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol?
(1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol has a molecular weight of 250.41 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol is sourced from PubChem (CID 78951607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).