4-chloro-2-methylphenol

C7H7ClO — CID 14855

IUPAC4-chloro-2-methylphenol
SMILESCc1cc(Cl)ccc1O
InChIInChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKeyRHPUJHQBPORFGV-UHFFFAOYSA-N
MW142.58 g/mol
LogP2.35
Rot. Bonds

About 4-chloro-2-methylphenol

4-chloro-2-methylphenol (PubChem CID 14855) has the molecular formula C7H7ClO and a molecular weight of 142.58 g/mol. Its IUPAC name is 4-chloro-2-methylphenol.

Molecular Properties

Compound Name4-chloro-2-methylphenol
PubChem CID14855
Molecular FormulaC7H7ClO
Molecular Weight142.58 g/mol
Exact Mass142.02
IUPAC Name4-chloro-2-methylphenol
SMILESCc1cc(Cl)ccc1O
InChIInChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKeyRHPUJHQBPORFGV-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.58
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylphenol?
The IUPAC name of 4-chloro-2-methylphenol (CID 14855) is 4-chloro-2-methylphenol.
What is the SMILES notation for 4-chloro-2-methylphenol?
The canonical SMILES for 4-chloro-2-methylphenol is Cc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-methylphenol?
The InChIKey is RHPUJHQBPORFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3.
What are the key properties of 4-chloro-2-methylphenol?
4-chloro-2-methylphenol has a molecular weight of 142.58 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylphenol is sourced from PubChem (CID 14855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).