3-chloro-5-methylphenol

C7H7ClO — CID 14854

IUPAC3-chloro-5-methylphenol
SMILESCc1cc(O)cc(Cl)c1
InChIInChI=1S/C7H7ClO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,1H3
InChIKeyQXHZLCYUCTZZNL-UHFFFAOYSA-N
MW142.58 g/mol
LogP2.35
Rot. Bonds

About 3-chloro-5-methylphenol

3-chloro-5-methylphenol (PubChem CID 14854) has the molecular formula C7H7ClO and a molecular weight of 142.58 g/mol. Its IUPAC name is 3-chloro-5-methylphenol.

Molecular Properties

Compound Name3-chloro-5-methylphenol
PubChem CID14854
Molecular FormulaC7H7ClO
Molecular Weight142.58 g/mol
Exact Mass142.02
IUPAC Name3-chloro-5-methylphenol
SMILESCc1cc(O)cc(Cl)c1
InChIInChI=1S/C7H7ClO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,1H3
InChIKeyQXHZLCYUCTZZNL-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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Related Compounds

4-Chloro-3-methylphenol
CID 1732
4-Chloro-3,5-dimethylphenol
CID 2723
4-Chloro-2-methylphenol
CID 14855
2,6-Dichloro-4-methylphenol
CID 17077
2-Chloro-5-methylphenol
CID 12008
2-Chloro-4-methylphenol
CID 14851
2-Chloro-6-methylphenol
CID 6898
5-Chloro-2-methylphenol
CID 79192
5-Chloro-3-methyl-1,2-benzenediol
CID 36022
4-Chloro-2,5-xylenol
CID 70756
3-Chloro-o-cresol
CID 14856
3-Chloro-4-methylphenol
CID 14853

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methylphenol?
The IUPAC name of 3-chloro-5-methylphenol (CID 14854) is 3-chloro-5-methylphenol.
What is the SMILES notation for 3-chloro-5-methylphenol?
The canonical SMILES for 3-chloro-5-methylphenol is Cc1cc(O)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-methylphenol?
The InChIKey is QXHZLCYUCTZZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO/c1-5-2-6(8)4-7(9)3-5/h2-4,9H,1H3.
What are the key properties of 3-chloro-5-methylphenol?
3-chloro-5-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 3-chloro-5-methylphenol is sourced from PubChem (CID 14854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).