5-chloro-3,4-difluoro-2-methoxyphenol

C7H5ClF2O2 — CID 84665736

IUPAC5-chloro-3,4-difluoro-2-methoxyphenol
SMILESCOc1c(O)cc(Cl)c(F)c1F
InChIInChI=1S/C7H5ClF2O2/c1-12-7-4(11)2-3(8)5(9)6(7)10/h2,11H,1H3
InChIKeyQACFJMMGBXMLSD-UHFFFAOYSA-N
MW194.56 g/mol
LogP2.33
Rot. Bonds1

About 5-chloro-3,4-difluoro-2-methoxyphenol

5-chloro-3,4-difluoro-2-methoxyphenol (PubChem CID 84665736) has the molecular formula C7H5ClF2O2 and a molecular weight of 194.56 g/mol. Its IUPAC name is 5-chloro-3,4-difluoro-2-methoxyphenol.

Molecular Properties

Compound Name5-chloro-3,4-difluoro-2-methoxyphenol
PubChem CID84665736
Molecular FormulaC7H5ClF2O2
Molecular Weight194.56 g/mol
Exact Mass193.99
IUPAC Name5-chloro-3,4-difluoro-2-methoxyphenol
SMILESCOc1c(O)cc(Cl)c(F)c1F
InChIInChI=1S/C7H5ClF2O2/c1-12-7-4(11)2-3(8)5(9)6(7)10/h2,11H,1H3
InChIKeyQACFJMMGBXMLSD-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.56
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 84664376
1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
CID 117311544
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117341372
2-amino-2-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)acetic acid
CID 117377798
3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117372479
3-(1-aminocyclohexyl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117437080
5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84810597
6-bromo-4-chloro-3-fluoro-2-methoxyphenol
CID 84708614
2-(5-chloro-3,4-difluoro-2-methoxyphenyl)propan-1-ol
CID 117345755
3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117397370
5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84797746
3-chloro-2,5-dimethoxyphenol
CID 84661730

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,4-difluoro-2-methoxyphenol?
The IUPAC name of 5-chloro-3,4-difluoro-2-methoxyphenol (CID 84665736) is 5-chloro-3,4-difluoro-2-methoxyphenol.
What is the SMILES notation for 5-chloro-3,4-difluoro-2-methoxyphenol?
The canonical SMILES for 5-chloro-3,4-difluoro-2-methoxyphenol is COc1c(O)cc(Cl)c(F)c1F.
What is the InChIKey of 5-chloro-3,4-difluoro-2-methoxyphenol?
The InChIKey is QACFJMMGBXMLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O2/c1-12-7-4(11)2-3(8)5(9)6(7)10/h2,11H,1H3.
What are the key properties of 5-chloro-3,4-difluoro-2-methoxyphenol?
5-chloro-3,4-difluoro-2-methoxyphenol has a molecular weight of 194.56 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,4-difluoro-2-methoxyphenol is sourced from PubChem (CID 84665736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).