2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol

C18H22OS — CID 65139691

IUPAC2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol
SMILESOC(CSC1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C18H22OS/c19-18(13-20-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h4-8,11-12,15,18-19H,1-3,9-10,13H2
InChIKeyCRRQWYORRFUPGT-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.94
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol

2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol (PubChem CID 65139691) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol
PubChem CID65139691
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol
SMILESOC(CSC1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C18H22OS/c19-18(13-20-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h4-8,11-12,15,18-19H,1-3,9-10,13H2
InChIKeyCRRQWYORRFUPGT-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol
CID 103143427
2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
CID 64627941
2-cyclohexylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 65139489
2-cyclopentylsulfanyl-1-(2,3-dimethylphenyl)ethanol
CID 65138645
2-cyclohexylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65139951
2-cyclohexylsulfanyl-1-quinolin-3-ylethanol
CID 65140040
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
(1-cyclopentylsulfanyl-3-naphthalen-1-ylpropan-2-yl)hydrazine
CID 105227571
[1-(1-benzothiophen-7-yl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105227744
(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
CID 117063130
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]cyclopentanecarboxamide
CID 95367123
2-cyclopentylsulfanyl-1-(2,5-dichlorophenyl)ethanol
CID 60981166

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol?
The IUPAC name of 2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol (CID 65139691) is 2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol is OC(CSC1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of 2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol?
The InChIKey is CRRQWYORRFUPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c19-18(13-20-15-9-2-1-3-10-15)17-12-6-8-14-7-4-5-11-16(14)17/h4-8,11-12,15,18-19H,1-3,9-10,13H2.
What are the key properties of 2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol?
2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol has a molecular weight of 286.44 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-naphthalen-1-ylethanol is sourced from PubChem (CID 65139691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).