4-cyclohexyl-2-methylphenol;2,4-dimethylphenol

C21H28O2 — CID 144772724

IUPAC4-cyclohexyl-2-methylphenol;2,4-dimethylphenol
SMILESCc1cc(C2CCCCC2)ccc1O.Cc1ccc(O)c(C)c1
InChIInChI=1S/C13H18O.C8H10O/c1-10-9-12(7-8-13(10)14)11-5-3-2-4-6-11;1-6-3-4-8(9)7(2)5-6/h7-9,11,14H,2-6H2,1H3;3-5,9H,1-2H3
InChIKeyWIYMCAMXVNRTPD-UHFFFAOYSA-N
MW312.45 g/mol
LogP5.76
Rot. Bonds1

About 4-cyclohexyl-2-methylphenol;2,4-dimethylphenol

4-cyclohexyl-2-methylphenol;2,4-dimethylphenol (PubChem CID 144772724) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 4-cyclohexyl-2-methylphenol;2,4-dimethylphenol.

Molecular Properties

Compound Name4-cyclohexyl-2-methylphenol;2,4-dimethylphenol
PubChem CID144772724
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name4-cyclohexyl-2-methylphenol;2,4-dimethylphenol
SMILESCc1cc(C2CCCCC2)ccc1O.Cc1ccc(O)c(C)c1
InChIInChI=1S/C13H18O.C8H10O/c1-10-9-12(7-8-13(10)14)11-5-3-2-4-6-11;1-6-3-4-8(9)7(2)5-6/h7-9,11,14H,2-6H2,1H3;3-5,9H,1-2H3
InChIKeyWIYMCAMXVNRTPD-UHFFFAOYSA-N
XLogP5.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.45
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-methylphenol;2,4-dimethylphenol?
The IUPAC name of 4-cyclohexyl-2-methylphenol;2,4-dimethylphenol (CID 144772724) is 4-cyclohexyl-2-methylphenol;2,4-dimethylphenol.
What is the SMILES notation for 4-cyclohexyl-2-methylphenol;2,4-dimethylphenol?
The canonical SMILES for 4-cyclohexyl-2-methylphenol;2,4-dimethylphenol is Cc1cc(C2CCCCC2)ccc1O.Cc1ccc(O)c(C)c1.
What is the InChIKey of 4-cyclohexyl-2-methylphenol;2,4-dimethylphenol?
The InChIKey is WIYMCAMXVNRTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C8H10O/c1-10-9-12(7-8-13(10)14)11-5-3-2-4-6-11;1-6-3-4-8(9)7(2)5-6/h7-9,11,14H,2-6H2,1H3;3-5,9H,1-2H3.
What are the key properties of 4-cyclohexyl-2-methylphenol;2,4-dimethylphenol?
4-cyclohexyl-2-methylphenol;2,4-dimethylphenol has a molecular weight of 312.45 g/mol, XLogP of 5.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-methylphenol;2,4-dimethylphenol is sourced from PubChem (CID 144772724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).