[(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol

C17H26OS — CID 142105674

IUPAC[(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol
SMILESCC(C)Cc1ccccc1S[C@H]1CCCCC1CO
InChIInChI=1S/C17H26OS/c1-13(2)11-14-7-3-5-9-16(14)19-17-10-6-4-8-15(17)12-18/h3,5,7,9,13,15,17-18H,4,6,8,10-12H2,1-2H3/t15?,17-/m0/s1
InChIKeyCHFWCGRFGJXWJX-LWKPJOBUSA-N
MW278.46 g/mol
LogP4.53
Rot. Bonds5

About [(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol

[(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol (PubChem CID 142105674) has the molecular formula C17H26OS and a molecular weight of 278.46 g/mol. Its IUPAC name is [(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol.

Molecular Properties

Compound Name[(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol
PubChem CID142105674
Molecular FormulaC17H26OS
Molecular Weight278.46 g/mol
Exact Mass278.17
IUPAC Name[(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol
SMILESCC(C)Cc1ccccc1S[C@H]1CCCCC1CO
InChIInChI=1S/C17H26OS/c1-13(2)11-14-7-3-5-9-16(14)19-17-10-6-4-8-15(17)12-18/h3,5,7,9,13,15,17-18H,4,6,8,10-12H2,1-2H3/t15?,17-/m0/s1
InChIKeyCHFWCGRFGJXWJX-LWKPJOBUSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol?
The IUPAC name of [(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol (CID 142105674) is [(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol.
What is the SMILES notation for [(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol?
The canonical SMILES for [(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol is CC(C)Cc1ccccc1S[C@H]1CCCCC1CO.
What is the InChIKey of [(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol?
The InChIKey is CHFWCGRFGJXWJX-LWKPJOBUSA-N. The full InChI is InChI=1S/C17H26OS/c1-13(2)11-14-7-3-5-9-16(14)19-17-10-6-4-8-15(17)12-18/h3,5,7,9,13,15,17-18H,4,6,8,10-12H2,1-2H3/t15?,17-/m0/s1.
What are the key properties of [(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol?
[(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol has a molecular weight of 278.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-(2-methylpropyl)phenyl]sulfanylcyclohexyl]methanol is sourced from PubChem (CID 142105674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).