3-chloro-4-fluoro-5-methylphenol

C7H6ClFO — CID 84651132

IUPAC3-chloro-4-fluoro-5-methylphenol
SMILESCc1cc(O)cc(Cl)c1F
InChIInChI=1S/C7H6ClFO/c1-4-2-5(10)3-6(8)7(4)9/h2-3,10H,1H3
InChIKeyMQUKZLZHTFOBCN-UHFFFAOYSA-N
MW160.57 g/mol
LogP2.49
Rot. Bonds

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

3-chloro-4-fluoro-5-methylphenol (PubChem CID 84651132) has the molecular formula C7H6ClFO and a molecular weight of 160.57 g/mol. Its IUPAC name is 3-chloro-4-fluoro-5-methylphenol.

Molecular Properties

Compound Name3-chloro-4-fluoro-5-methylphenol
PubChem CID84651132
Molecular FormulaC7H6ClFO
Molecular Weight160.57 g/mol
Exact Mass160.01
IUPAC Name3-chloro-4-fluoro-5-methylphenol
SMILESCc1cc(O)cc(Cl)c1F
InChIInChI=1S/C7H6ClFO/c1-4-2-5(10)3-6(8)7(4)9/h2-3,10H,1H3
InChIKeyMQUKZLZHTFOBCN-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-5-methylphenol?
The IUPAC name of 3-chloro-4-fluoro-5-methylphenol (CID 84651132) is 3-chloro-4-fluoro-5-methylphenol.
What is the SMILES notation for 3-chloro-4-fluoro-5-methylphenol?
The canonical SMILES for 3-chloro-4-fluoro-5-methylphenol is Cc1cc(O)cc(Cl)c1F.
What is the InChIKey of 3-chloro-4-fluoro-5-methylphenol?
The InChIKey is MQUKZLZHTFOBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO/c1-4-2-5(10)3-6(8)7(4)9/h2-3,10H,1H3.
What are the key properties of 3-chloro-4-fluoro-5-methylphenol?
3-chloro-4-fluoro-5-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-4-fluoro-5-methylphenol is sourced from PubChem (CID 84651132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).