5-chloro-4-fluoro-3-methoxybenzene-1,2-diol

C7H6ClFO3 — CID 84664376

IUPAC5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
SMILESCOc1c(O)c(O)cc(Cl)c1F
InChIInChI=1S/C7H6ClFO3/c1-12-7-5(9)3(8)2-4(10)6(7)11/h2,10-11H,1H3
InChIKeySBWNKHOPUXIMMO-UHFFFAOYSA-N
MW192.57 g/mol
LogP1.90
Rot. Bonds1

About 5-chloro-4-fluoro-3-methoxybenzene-1,2-diol

5-chloro-4-fluoro-3-methoxybenzene-1,2-diol (PubChem CID 84664376) has the molecular formula C7H6ClFO3 and a molecular weight of 192.57 g/mol. Its IUPAC name is 5-chloro-4-fluoro-3-methoxybenzene-1,2-diol.

Molecular Properties

Compound Name5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
PubChem CID84664376
Molecular FormulaC7H6ClFO3
Molecular Weight192.57 g/mol
Exact Mass192.00
IUPAC Name5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
SMILESCOc1c(O)c(O)cc(Cl)c1F
InChIInChI=1S/C7H6ClFO3/c1-12-7-5(9)3(8)2-4(10)6(7)11/h2,10-11H,1H3
InChIKeySBWNKHOPUXIMMO-UHFFFAOYSA-N
XLogP1.90
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.57
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
6-bromo-4-chloro-3-fluoro-2-methoxyphenol
CID 84708614
1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
CID 117311544
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
2-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid
CID 117379954
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
3-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 84706671
3-(4-aminobutan-2-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117372479
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117341372
5-chloro-2-fluoro-4-methoxyphenol
CID 84655771
5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84810597

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-3-methoxybenzene-1,2-diol?
The IUPAC name of 5-chloro-4-fluoro-3-methoxybenzene-1,2-diol (CID 84664376) is 5-chloro-4-fluoro-3-methoxybenzene-1,2-diol.
What is the SMILES notation for 5-chloro-4-fluoro-3-methoxybenzene-1,2-diol?
The canonical SMILES for 5-chloro-4-fluoro-3-methoxybenzene-1,2-diol is COc1c(O)c(O)cc(Cl)c1F.
What is the InChIKey of 5-chloro-4-fluoro-3-methoxybenzene-1,2-diol?
The InChIKey is SBWNKHOPUXIMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO3/c1-12-7-5(9)3(8)2-4(10)6(7)11/h2,10-11H,1H3.
What are the key properties of 5-chloro-4-fluoro-3-methoxybenzene-1,2-diol?
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol has a molecular weight of 192.57 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-3-methoxybenzene-1,2-diol is sourced from PubChem (CID 84664376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).