3-chloro-5-fluoro-4-methylphenol

C7H6ClFO — CID 84651127

IUPAC3-chloro-5-fluoro-4-methylphenol
SMILESCc1c(F)cc(O)cc1Cl
InChIInChI=1S/C7H6ClFO/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,1H3
InChIKeyBUQNWJPJCKCFAT-UHFFFAOYSA-N
MW160.57 g/mol
LogP2.49
Rot. Bonds

About 3-chloro-5-fluoro-4-methylphenol

3-chloro-5-fluoro-4-methylphenol (PubChem CID 84651127) has the molecular formula C7H6ClFO and a molecular weight of 160.57 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-methylphenol.

Molecular Properties

Compound Name3-chloro-5-fluoro-4-methylphenol
PubChem CID84651127
Molecular FormulaC7H6ClFO
Molecular Weight160.57 g/mol
Exact Mass160.01
IUPAC Name3-chloro-5-fluoro-4-methylphenol
SMILESCc1c(F)cc(O)cc1Cl
InChIInChI=1S/C7H6ClFO/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,1H3
InChIKeyBUQNWJPJCKCFAT-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.57
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-5-fluoro-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 3-chloro-5-fluoro-4-methylphenol?
The IUPAC name of 3-chloro-5-fluoro-4-methylphenol (CID 84651127) is 3-chloro-5-fluoro-4-methylphenol.
What is the SMILES notation for 3-chloro-5-fluoro-4-methylphenol?
The canonical SMILES for 3-chloro-5-fluoro-4-methylphenol is Cc1c(F)cc(O)cc1Cl.
What is the InChIKey of 3-chloro-5-fluoro-4-methylphenol?
The InChIKey is BUQNWJPJCKCFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO/c1-4-6(8)2-5(10)3-7(4)9/h2-3,10H,1H3.
What are the key properties of 3-chloro-5-fluoro-4-methylphenol?
3-chloro-5-fluoro-4-methylphenol has a molecular weight of 160.57 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-4-methylphenol is sourced from PubChem (CID 84651127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).