[1-(2-phenylsulfanylethyl)cyclohexyl]methanol

C15H22OS — CID 79223958

IUPAC[1-(2-phenylsulfanylethyl)cyclohexyl]methanol
SMILESOCC1(CCSc2ccccc2)CCCCC1
InChIInChI=1S/C15H22OS/c16-13-15(9-5-2-6-10-15)11-12-17-14-7-3-1-4-8-14/h1,3-4,7-8,16H,2,5-6,9-13H2
InChIKeyHKXNDHQJLAEXTG-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.11
Rot. Bonds5

About [1-(2-phenylsulfanylethyl)cyclohexyl]methanol

[1-(2-phenylsulfanylethyl)cyclohexyl]methanol (PubChem CID 79223958) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is [1-(2-phenylsulfanylethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-phenylsulfanylethyl)cyclohexyl]methanol
PubChem CID79223958
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name[1-(2-phenylsulfanylethyl)cyclohexyl]methanol
SMILESOCC1(CCSc2ccccc2)CCCCC1
InChIInChI=1S/C15H22OS/c16-13-15(9-5-2-6-10-15)11-12-17-14-7-3-1-4-8-14/h1,3-4,7-8,16H,2,5-6,9-13H2
InChIKeyHKXNDHQJLAEXTG-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(bromomethyl)cyclopentyl]ethylsulfanylbenzene
CID 79223410
[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine
CID 79229107
4-(chloromethyl)-4-(2-phenylsulfanylethyl)oxane
CID 79224280
N-[[4-(2-phenylsulfanylethyl)oxan-4-yl]methyl]ethanamine
CID 79228269
1-[(2-phenylsulfanylethylamino)methyl]cycloheptan-1-ol
CID 60710821
1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanone
CID 106797333
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-phenylsulfanylbutanamide
CID 80717229
2-[1-[(2-phenylsulfanylethylamino)methyl]cyclopropyl]ethanol
CID 114756288
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662
1-(phenylsulfanylmethyl)cyclopentan-1-ol
CID 13448038
N-[[4-(2-phenylsulfanylethyl)oxan-4-yl]methyl]propan-1-amine
CID 79228495
2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine
CID 79228382

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylsulfanylethyl)cyclohexyl]methanol?
The IUPAC name of [1-(2-phenylsulfanylethyl)cyclohexyl]methanol (CID 79223958) is [1-(2-phenylsulfanylethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(2-phenylsulfanylethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(2-phenylsulfanylethyl)cyclohexyl]methanol is OCC1(CCSc2ccccc2)CCCCC1.
What is the InChIKey of [1-(2-phenylsulfanylethyl)cyclohexyl]methanol?
The InChIKey is HKXNDHQJLAEXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c16-13-15(9-5-2-6-10-15)11-12-17-14-7-3-1-4-8-14/h1,3-4,7-8,16H,2,5-6,9-13H2.
What are the key properties of [1-(2-phenylsulfanylethyl)cyclohexyl]methanol?
[1-(2-phenylsulfanylethyl)cyclohexyl]methanol has a molecular weight of 250.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylsulfanylethyl)cyclohexyl]methanol is sourced from PubChem (CID 79223958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).