2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol

C22H28O — CID 67723850

IUPAC2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol
SMILESCc1cc(O)c(C2CCCCC2)cc1C(C)Cc1ccccc1
InChIInChI=1S/C22H28O/c1-16(13-18-9-5-3-6-10-18)20-15-21(22(23)14-17(20)2)19-11-7-4-8-12-19/h3,5-6,9-10,14-16,19,23H,4,7-8,11-13H2,1-2H3
InChIKeyVIYQFTURNCPILT-UHFFFAOYSA-N
MW308.46 g/mol
LogP6.09
Rot. Bonds4

About 2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol

2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol (PubChem CID 67723850) has the molecular formula C22H28O and a molecular weight of 308.46 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol
PubChem CID67723850
Molecular FormulaC22H28O
Molecular Weight308.46 g/mol
Exact Mass308.21
IUPAC Name2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol
SMILESCc1cc(O)c(C2CCCCC2)cc1C(C)Cc1ccccc1
InChIInChI=1S/C22H28O/c1-16(13-18-9-5-3-6-10-18)20-15-21(22(23)14-17(20)2)19-11-7-4-8-12-19/h3,5-6,9-10,14-16,19,23H,4,7-8,11-13H2,1-2H3
InChIKeyVIYQFTURNCPILT-UHFFFAOYSA-N
XLogP6.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol
CID 139696622
2-cycloheptyl-5-methylbenzene-1,4-diol
CID 59639034
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxyphenyl)propyl]phenol
CID 141264792
2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol
CID 139696623
2-cyclohexyl-4-[(5-heptan-3-yl-4-hydroxy-2-methylphenyl)-(2-hydroxyphenyl)methyl]-5-methylphenol
CID 145179128
2-cyclohexyl-4-[(3-cyclohexylphenyl)methyl]-5-methylphenol
CID 175318252
2-[2-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-(1-carboxy-3-hydroxypropoxy)phenyl]methyl]phenoxy]-4-hydroxybutanoic acid
CID 101454099
4-[4,4-bis(2-cyclohexyl-4-hydroxy-5-methylphenyl)butan-2-yl]-5-cyclohexyl-2-methylphenol
CID 19437638
1-methyl-2-(1-phenylpropan-2-yl)benzene
CID 22356709
2-[2-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[[3-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-(carboxymethoxy)phenyl]methyl]-2-(carboxymethoxy)-5-methylphenyl]methyl]phenoxy]acetic acid
CID 87221949
2,4-dicyclohexyl-5-methylphenol;2,4,5-triethylphenol
CID 142247556
3-[2-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-(2-oxooxolan-3-yl)oxyphenyl]methyl]phenoxy]oxolan-2-one
CID 163969283

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol?
The IUPAC name of 2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol (CID 67723850) is 2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol.
What is the SMILES notation for 2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol?
The canonical SMILES for 2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol is Cc1cc(O)c(C2CCCCC2)cc1C(C)Cc1ccccc1.
What is the InChIKey of 2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol?
The InChIKey is VIYQFTURNCPILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O/c1-16(13-18-9-5-3-6-10-18)20-15-21(22(23)14-17(20)2)19-11-7-4-8-12-19/h3,5-6,9-10,14-16,19,23H,4,7-8,11-13H2,1-2H3.
What are the key properties of 2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol?
2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol has a molecular weight of 308.46 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol is sourced from PubChem (CID 67723850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).