4-methylphenol

C7H8O — CID 2879

IUPAC4-methylphenol
SMILESCc1ccc(O)cc1
InChIInChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKeyIWDCLRJOBJJRNH-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.70
Rot. Bonds

About 4-methylphenol

4-methylphenol (PubChem CID 2879) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 4-methylphenol.

Molecular Properties

Compound Name4-methylphenol
PubChem CID2879
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name4-methylphenol
SMILESCc1ccc(O)cc1
InChIInChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKeyIWDCLRJOBJJRNH-UHFFFAOYSA-N
XLogP1.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylphenol?
The IUPAC name of 4-methylphenol (CID 2879) is 4-methylphenol.
What is the SMILES notation for 4-methylphenol?
The canonical SMILES for 4-methylphenol is Cc1ccc(O)cc1.
What is the InChIKey of 4-methylphenol?
The InChIKey is IWDCLRJOBJJRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3.
What are the key properties of 4-methylphenol?
4-methylphenol has a molecular weight of 108.14 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphenol is sourced from PubChem (CID 2879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).