2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane

C21H28O2 — CID 174887026

IUPAC2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane
SMILESCC.Cc1cc(-c2ccccc2O)cc(C2CCCCC2)c1O
InChIInChI=1S/C19H22O2.C2H6/c1-13-11-15(16-9-5-6-10-18(16)20)12-17(19(13)21)14-7-3-2-4-8-14;1-2/h5-6,9-12,14,20-21H,2-4,7-8H2,1H3;1-2H3
InChIKeyHETJPEYMFGLYAG-UHFFFAOYSA-N
MW312.45 g/mol
LogP6.15
Rot. Bonds2

About 2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane

2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane (PubChem CID 174887026) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane.

Molecular Properties

Compound Name2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane
PubChem CID174887026
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane
SMILESCC.Cc1cc(-c2ccccc2O)cc(C2CCCCC2)c1O
InChIInChI=1S/C19H22O2.C2H6/c1-13-11-15(16-9-5-6-10-18(16)20)12-17(19(13)21)14-7-3-2-4-8-14;1-2/h5-6,9-12,14,20-21H,2-4,7-8H2,1H3;1-2H3
InChIKeyHETJPEYMFGLYAG-UHFFFAOYSA-N
XLogP6.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane?
The IUPAC name of 2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane (CID 174887026) is 2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane.
What is the SMILES notation for 2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane?
The canonical SMILES for 2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane is CC.Cc1cc(-c2ccccc2O)cc(C2CCCCC2)c1O.
What is the InChIKey of 2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane?
The InChIKey is HETJPEYMFGLYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2.C2H6/c1-13-11-15(16-9-5-6-10-18(16)20)12-17(19(13)21)14-7-3-2-4-8-14;1-2/h5-6,9-12,14,20-21H,2-4,7-8H2,1H3;1-2H3.
What are the key properties of 2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane?
2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane has a molecular weight of 312.45 g/mol, XLogP of 6.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(2-hydroxyphenyl)-6-methylphenol;ethane is sourced from PubChem (CID 174887026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).