2,5-dimethylphenol;4-methylphenol

C15H18O2 — CID 67649093

IUPAC2,5-dimethylphenol;4-methylphenol
SMILESCc1ccc(C)c(O)c1.Cc1ccc(O)cc1
InChIInChI=1S/C8H10O.C7H8O/c1-6-3-4-7(2)8(9)5-6;1-6-2-4-7(8)5-3-6/h3-5,9H,1-2H3;2-5,8H,1H3
InChIKeyMSSJZMBCZDLEJL-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.71
Rot. Bonds

About 2,5-dimethylphenol;4-methylphenol

2,5-dimethylphenol;4-methylphenol (PubChem CID 67649093) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,5-dimethylphenol;4-methylphenol.

Molecular Properties

Compound Name2,5-dimethylphenol;4-methylphenol
PubChem CID67649093
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2,5-dimethylphenol;4-methylphenol
SMILESCc1ccc(C)c(O)c1.Cc1ccc(O)cc1
InChIInChI=1S/C8H10O.C7H8O/c1-6-3-4-7(2)8(9)5-6;1-6-2-4-7(8)5-3-6/h3-5,9H,1-2H3;2-5,8H,1H3
InChIKeyMSSJZMBCZDLEJL-UHFFFAOYSA-N
XLogP3.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylphenol;4-methylphenol?
The IUPAC name of 2,5-dimethylphenol;4-methylphenol (CID 67649093) is 2,5-dimethylphenol;4-methylphenol.
What is the SMILES notation for 2,5-dimethylphenol;4-methylphenol?
The canonical SMILES for 2,5-dimethylphenol;4-methylphenol is Cc1ccc(C)c(O)c1.Cc1ccc(O)cc1.
What is the InChIKey of 2,5-dimethylphenol;4-methylphenol?
The InChIKey is MSSJZMBCZDLEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C7H8O/c1-6-3-4-7(2)8(9)5-6;1-6-2-4-7(8)5-3-6/h3-5,9H,1-2H3;2-5,8H,1H3.
What are the key properties of 2,5-dimethylphenol;4-methylphenol?
2,5-dimethylphenol;4-methylphenol has a molecular weight of 230.31 g/mol, XLogP of 3.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylphenol;4-methylphenol is sourced from PubChem (CID 67649093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).