3-chloro-2-methylphenol

C7H7ClO — CID 14856

IUPAC3-chloro-2-methylphenol
SMILESCc1c(O)cccc1Cl
InChIInChI=1S/C7H7ClO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3
InChIKeyWADQOGCINABPRT-UHFFFAOYSA-N
MW142.59 g/mol
LogP2.35
Rot. Bonds

About 3-chloro-2-methylphenol

3-chloro-2-methylphenol (PubChem CID 14856) has the molecular formula C7H7ClO and a molecular weight of 142.59 g/mol. Its IUPAC name is 3-chloro-2-methylphenol.

Molecular Properties

Compound Name3-chloro-2-methylphenol
PubChem CID14856
Molecular FormulaC7H7ClO
Molecular Weight142.59 g/mol
Exact Mass142.02
IUPAC Name3-chloro-2-methylphenol
SMILESCc1c(O)cccc1Cl
InChIInChI=1S/C7H7ClO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3
InChIKeyWADQOGCINABPRT-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 ≤ 500142.59
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylphenol?
The IUPAC name of 3-chloro-2-methylphenol (CID 14856) is 3-chloro-2-methylphenol.
What is the SMILES notation for 3-chloro-2-methylphenol?
The canonical SMILES for 3-chloro-2-methylphenol is Cc1c(O)cccc1Cl.
What is the InChIKey of 3-chloro-2-methylphenol?
The InChIKey is WADQOGCINABPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO/c1-5-6(8)3-2-4-7(5)9/h2-4,9H,1H3.
What are the key properties of 3-chloro-2-methylphenol?
3-chloro-2-methylphenol has a molecular weight of 142.59 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 3-chloro-2-methylphenol is sourced from PubChem (CID 14856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).