2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol

C21H26OS — CID 15139972

IUPAC2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol
SMILESCc1cc(SC2CCCCC2)c(O)c(C(C)c2ccccc2)c1
InChIInChI=1S/C21H26OS/c1-15-13-19(16(2)17-9-5-3-6-10-17)21(22)20(14-15)23-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18,22H,4,7-8,11-12H2,1-2H3
InChIKeyGJQDEBCKKGITMZ-UHFFFAOYSA-N
MW326.51 g/mol
LogP6.28
Rot. Bonds4

About 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol

2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol (PubChem CID 15139972) has the molecular formula C21H26OS and a molecular weight of 326.51 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol
PubChem CID15139972
Molecular FormulaC21H26OS
Molecular Weight326.51 g/mol
Exact Mass326.17
IUPAC Name2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol
SMILESCc1cc(SC2CCCCC2)c(O)c(C(C)c2ccccc2)c1
InChIInChI=1S/C21H26OS/c1-15-13-19(16(2)17-9-5-3-6-10-17)21(22)20(14-15)23-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18,22H,4,7-8,11-12H2,1-2H3
InChIKeyGJQDEBCKKGITMZ-UHFFFAOYSA-N
XLogP6.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
4-cyclohexyl-3-(1-phenylethyl)phenol
CID 101304185
4-methyl-2,6-bis(1-phenylethyl)aniline;4-methyl-2,6-bis[(1R)-1-phenylethyl]aniline
CID 162252807
6-cyclohexyl-2-[[3-cyclohexyl-2-hydroxy-6-(1-phenylethyl)phenyl]methyl]-3-(1-phenylethyl)phenol
CID 101304108
(S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol
CID 124502633
4-(2-methylpropyl)-2,6-bis(1-phenylethyl)phenol
CID 23045364
4,5-dimethyl-1,3-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]-2H-imidazole
CID 178184490
N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine
CID 11331952
(1R)-1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanol
CID 63835814
(1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol
CID 78951666
1-(2-cyclopentylsulfanyl-5-fluorophenyl)ethanamine
CID 63114870
4-[4-hydroxy-2,6-bis(1-phenylethyl)phenyl]-3,5-bis(1-phenylethyl)phenol
CID 70559392

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol?
The IUPAC name of 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol (CID 15139972) is 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol.
What is the SMILES notation for 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol?
The canonical SMILES for 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol is Cc1cc(SC2CCCCC2)c(O)c(C(C)c2ccccc2)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol?
The InChIKey is GJQDEBCKKGITMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26OS/c1-15-13-19(16(2)17-9-5-3-6-10-17)21(22)20(14-15)23-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18,22H,4,7-8,11-12H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol?
2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol has a molecular weight of 326.51 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol is sourced from PubChem (CID 15139972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).