4-cyclohexyl-3-methylphenol;2-methylphenol

C20H26O2 — CID 157234017

IUPAC4-cyclohexyl-3-methylphenol;2-methylphenol
SMILESCc1cc(O)ccc1C1CCCCC1.Cc1ccccc1O
InChIInChI=1S/C13H18O.C7H8O/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11;1-6-4-2-3-5-7(6)8/h7-9,11,14H,2-6H2,1H3;2-5,8H,1H3
InChIKeyAUKUILBNKXBVPU-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.45
Rot. Bonds1

About 4-cyclohexyl-3-methylphenol;2-methylphenol

4-cyclohexyl-3-methylphenol;2-methylphenol (PubChem CID 157234017) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-cyclohexyl-3-methylphenol;2-methylphenol.

Molecular Properties

Compound Name4-cyclohexyl-3-methylphenol;2-methylphenol
PubChem CID157234017
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name4-cyclohexyl-3-methylphenol;2-methylphenol
SMILESCc1cc(O)ccc1C1CCCCC1.Cc1ccccc1O
InChIInChI=1S/C13H18O.C7H8O/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11;1-6-4-2-3-5-7(6)8/h7-9,11,14H,2-6H2,1H3;2-5,8H,1H3
InChIKeyAUKUILBNKXBVPU-UHFFFAOYSA-N
XLogP5.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexane;2-methylphenol
CID 70504255
4-cyclohexyl-3-(1-phenylethyl)phenol
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CID 139978853
6-(4-hydroxy-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
CID 68731128
2-cyclododecylphenol
CID 22381643
2-cycloheptyl-5-methylphenol
CID 45096882
(2,3-dimethylphenyl)cyclodecane
CID 21161883
bicyclo[2.2.0]hexane;2-methylphenol
CID 70270584
3-cyclohexyl-6-methylbenzene-1,2-diol
CID 150190518
2-cycloheptyl-5-methylbenzene-1,4-diol
CID 59639034
3-methyl-4-(1-methylpyrrolidin-3-yl)phenol
CID 156814350
4-cyclopentyl-3-(3,5-dimethylphenyl)phenol
CID 67187515

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-methylphenol;2-methylphenol?
The IUPAC name of 4-cyclohexyl-3-methylphenol;2-methylphenol (CID 157234017) is 4-cyclohexyl-3-methylphenol;2-methylphenol.
What is the SMILES notation for 4-cyclohexyl-3-methylphenol;2-methylphenol?
The canonical SMILES for 4-cyclohexyl-3-methylphenol;2-methylphenol is Cc1cc(O)ccc1C1CCCCC1.Cc1ccccc1O.
What is the InChIKey of 4-cyclohexyl-3-methylphenol;2-methylphenol?
The InChIKey is AUKUILBNKXBVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C7H8O/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11;1-6-4-2-3-5-7(6)8/h7-9,11,14H,2-6H2,1H3;2-5,8H,1H3.
What are the key properties of 4-cyclohexyl-3-methylphenol;2-methylphenol?
4-cyclohexyl-3-methylphenol;2-methylphenol has a molecular weight of 298.43 g/mol, XLogP of 5.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-methylphenol;2-methylphenol is sourced from PubChem (CID 157234017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).