4-methylphenol

C21H24O3 — CID 70549076

IUPAC4-methylphenol
SMILESCc1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccc(O)cc1
InChIInChI=1S/3C7H8O/c3*1-6-2-4-7(8)5-3-6/h3*2-5,8H,1H3
InChIKeyNYDKJMXPJFOLCW-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.10
Rot. Bonds

About 4-methylphenol

4-methylphenol (PubChem CID 70549076) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-methylphenol.

Molecular Properties

Compound Name4-methylphenol
PubChem CID70549076
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name4-methylphenol
SMILESCc1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccc(O)cc1
InChIInChI=1S/3C7H8O/c3*1-6-2-4-7(8)5-3-6/h3*2-5,8H,1H3
InChIKeyNYDKJMXPJFOLCW-UHFFFAOYSA-N
XLogP5.10
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
chromium;bis(4-methylphenol);chloride
CID 172752271
4-methylphenol;2-methylpropane
CID 91606636
ethane;4-(4-methylphenyl)phenol
CID 161379556
boric acid;4-methylphenol
CID 67912006
4-methylphenol;prop-1-yne
CID 158792009
dichlorotungsten;tris(4-methylphenol);hydrate
CID 153466835
4-methylphenol;propan-2-ylphosphane
CID 144779899
ethane;formic acid;4-methylphenol
CID 143673297
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium
CID 22901782

Frequently Asked Questions

What is the IUPAC name of 4-methylphenol?
The IUPAC name of 4-methylphenol (CID 70549076) is 4-methylphenol.
What is the SMILES notation for 4-methylphenol?
The canonical SMILES for 4-methylphenol is Cc1ccc(O)cc1.Cc1ccc(O)cc1.Cc1ccc(O)cc1.
What is the InChIKey of 4-methylphenol?
The InChIKey is NYDKJMXPJFOLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H8O/c3*1-6-2-4-7(8)5-3-6/h3*2-5,8H,1H3.
What are the key properties of 4-methylphenol?
4-methylphenol has a molecular weight of 324.42 g/mol, XLogP of 5.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphenol is sourced from PubChem (CID 70549076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).