2-chloro-5-methylphenol

C7H7ClO — CID 12008

IUPAC2-chloro-5-methylphenol
SMILESCc1ccc(Cl)c(O)c1
InChIInChI=1S/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
InChIKeySMFHPCZZAAMJJO-UHFFFAOYSA-N
MW142.58 g/mol
LogP2.35
Rot. Bonds

About 2-chloro-5-methylphenol

2-chloro-5-methylphenol (PubChem CID 12008) has the molecular formula C7H7ClO and a molecular weight of 142.58 g/mol. Its IUPAC name is 2-chloro-5-methylphenol.

Molecular Properties

Compound Name2-chloro-5-methylphenol
PubChem CID12008
Molecular FormulaC7H7ClO
Molecular Weight142.58 g/mol
Exact Mass142.02
IUPAC Name2-chloro-5-methylphenol
SMILESCc1ccc(Cl)c(O)c1
InChIInChI=1S/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
InChIKeySMFHPCZZAAMJJO-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
2-Chlorophenol
CID 7245
2,4-Dichloro-3,5-dimethylphenol
CID 8621
2,6-Dichloro-4-methylphenol
CID 17077
2-Chloro-4,5-dimethylphenol
CID 70754
2-Chloro-4-methylphenol
CID 14851
2-Chloro-6-methylphenol
CID 6898
5-Chloro-2-methylphenol
CID 79192
2-Chloro-4-nonylphenol
CID 43176
4-tert-Butyl-2-chlorophenol
CID 7380
2-Chloro-5-methylbenzene-1,3-diol
CID 5324741
2,4-Dichloro-m-cresol
CID 87305

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylphenol?
The IUPAC name of 2-chloro-5-methylphenol (CID 12008) is 2-chloro-5-methylphenol.
What is the SMILES notation for 2-chloro-5-methylphenol?
The canonical SMILES for 2-chloro-5-methylphenol is Cc1ccc(Cl)c(O)c1.
What is the InChIKey of 2-chloro-5-methylphenol?
The InChIKey is SMFHPCZZAAMJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3.
What are the key properties of 2-chloro-5-methylphenol?
2-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 2-chloro-5-methylphenol is sourced from PubChem (CID 12008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).