4-chloro-2-methoxy-3-methylphenol

C8H9ClO2 — CID 124706065

IUPAC4-chloro-2-methoxy-3-methylphenol
SMILESCOc1c(O)ccc(Cl)c1C
InChIInChI=1S/C8H9ClO2/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4,10H,1-2H3
InChIKeyQKLHZNHZOOXPMI-UHFFFAOYSA-N
MW172.61 g/mol
LogP2.36
Rot. Bonds1

About 4-chloro-2-methoxy-3-methylphenol

4-chloro-2-methoxy-3-methylphenol (PubChem CID 124706065) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 4-chloro-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-3-methylphenol
PubChem CID124706065
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name4-chloro-2-methoxy-3-methylphenol
SMILESCOc1c(O)ccc(Cl)c1C
InChIInChI=1S/C8H9ClO2/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4,10H,1-2H3
InChIKeyQKLHZNHZOOXPMI-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132
2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol
CID 143347390
N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 143635325
3-fluoro-2-methoxy-4-methylphenol
CID 164891079
1-(4-hydroxy-3-methoxy-2-methylphenyl)propan-1-one
CID 91750719
2-methoxy-3-methyl-4-prop-2-enylphenol
CID 15607491
3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one
CID 117331388
2,3-dimethoxy-4-methylphenol;propane
CID 143012581
4-[(E)-but-2-enyl]-2-methoxy-3-methylphenol
CID 131239495
3-(4-hydroxy-3-methoxy-2-methylphenyl)prop-2-enal
CID 173246032
1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol
CID 159078208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-3-methylphenol?
The IUPAC name of 4-chloro-2-methoxy-3-methylphenol (CID 124706065) is 4-chloro-2-methoxy-3-methylphenol.
What is the SMILES notation for 4-chloro-2-methoxy-3-methylphenol?
The canonical SMILES for 4-chloro-2-methoxy-3-methylphenol is COc1c(O)ccc(Cl)c1C.
What is the InChIKey of 4-chloro-2-methoxy-3-methylphenol?
The InChIKey is QKLHZNHZOOXPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4,10H,1-2H3.
What are the key properties of 4-chloro-2-methoxy-3-methylphenol?
4-chloro-2-methoxy-3-methylphenol has a molecular weight of 172.61 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-3-methylphenol is sourced from PubChem (CID 124706065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).