3-chloro-5-fluoro-2-methoxy-6-methylphenol

C8H8ClFO2 — CID 84662913

IUPAC3-chloro-5-fluoro-2-methoxy-6-methylphenol
SMILESCOc1c(Cl)cc(F)c(C)c1O
InChIInChI=1S/C8H8ClFO2/c1-4-6(10)3-5(9)8(12-2)7(4)11/h3,11H,1-2H3
InChIKeyBDJVTTHXCPAOFJ-UHFFFAOYSA-N
MW190.60 g/mol
LogP2.50
Rot. Bonds1

About 3-chloro-5-fluoro-2-methoxy-6-methylphenol

3-chloro-5-fluoro-2-methoxy-6-methylphenol (PubChem CID 84662913) has the molecular formula C8H8ClFO2 and a molecular weight of 190.60 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-methoxy-6-methylphenol.

Molecular Properties

Compound Name3-chloro-5-fluoro-2-methoxy-6-methylphenol
PubChem CID84662913
Molecular FormulaC8H8ClFO2
Molecular Weight190.60 g/mol
Exact Mass190.02
IUPAC Name3-chloro-5-fluoro-2-methoxy-6-methylphenol
SMILESCOc1c(Cl)cc(F)c(C)c1O
InChIInChI=1S/C8H8ClFO2/c1-4-6(10)3-5(9)8(12-2)7(4)11/h3,11H,1-2H3
InChIKeyBDJVTTHXCPAOFJ-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
CID 84707952
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
CID 117337268
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one
CID 84694021
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-amine
CID 117335610
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117400321
3-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)-2,2-dimethylpropanoic acid
CID 117439277
1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene
CID 130224423
5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
CID 84680663
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480
5-bromo-1,3-dichloro-2-methoxybenzene;4-bromo-2,6-dichlorophenol;5-bromo-1,3-difluoro-2-methoxybenzene;4-bromo-2,6-difluorophenol
CID 162005787

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2-methoxy-6-methylphenol?
The IUPAC name of 3-chloro-5-fluoro-2-methoxy-6-methylphenol (CID 84662913) is 3-chloro-5-fluoro-2-methoxy-6-methylphenol.
What is the SMILES notation for 3-chloro-5-fluoro-2-methoxy-6-methylphenol?
The canonical SMILES for 3-chloro-5-fluoro-2-methoxy-6-methylphenol is COc1c(Cl)cc(F)c(C)c1O.
What is the InChIKey of 3-chloro-5-fluoro-2-methoxy-6-methylphenol?
The InChIKey is BDJVTTHXCPAOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO2/c1-4-6(10)3-5(9)8(12-2)7(4)11/h3,11H,1-2H3.
What are the key properties of 3-chloro-5-fluoro-2-methoxy-6-methylphenol?
3-chloro-5-fluoro-2-methoxy-6-methylphenol has a molecular weight of 190.60 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2-methoxy-6-methylphenol is sourced from PubChem (CID 84662913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).