2-methylhexane;4-methylphenol

C14H24O — CID 144980508

IUPAC2-methylhexane;4-methylphenol
SMILESCCCCC(C)C.Cc1ccc(O)cc1
InChIInChI=1S/C7H8O.C7H16/c1-6-2-4-7(8)5-3-6;1-4-5-6-7(2)3/h2-5,8H,1H3;7H,4-6H2,1-3H3
InChIKeyAUOOEAGEZFZZLO-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.53
Rot. Bonds3

About 2-methylhexane;4-methylphenol

2-methylhexane;4-methylphenol (PubChem CID 144980508) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-methylhexane;4-methylphenol.

Molecular Properties

Compound Name2-methylhexane;4-methylphenol
PubChem CID144980508
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-methylhexane;4-methylphenol
SMILESCCCCC(C)C.Cc1ccc(O)cc1
InChIInChI=1S/C7H8O.C7H16/c1-6-2-4-7(8)5-3-6;1-4-5-6-7(2)3/h2-5,8H,1H3;7H,4-6H2,1-3H3
InChIKeyAUOOEAGEZFZZLO-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methylhexane;4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylhexane;4-methylphenol?
The IUPAC name of 2-methylhexane;4-methylphenol (CID 144980508) is 2-methylhexane;4-methylphenol.
What is the SMILES notation for 2-methylhexane;4-methylphenol?
The canonical SMILES for 2-methylhexane;4-methylphenol is CCCCC(C)C.Cc1ccc(O)cc1.
What is the InChIKey of 2-methylhexane;4-methylphenol?
The InChIKey is AUOOEAGEZFZZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C7H16/c1-6-2-4-7(8)5-3-6;1-4-5-6-7(2)3/h2-5,8H,1H3;7H,4-6H2,1-3H3.
What are the key properties of 2-methylhexane;4-methylphenol?
2-methylhexane;4-methylphenol has a molecular weight of 208.34 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexane;4-methylphenol is sourced from PubChem (CID 144980508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).