5-chloro-2-fluoro-4-methoxyphenol

C7H6ClFO2 — CID 84655771

IUPAC5-chloro-2-fluoro-4-methoxyphenol
SMILESCOc1cc(F)c(O)cc1Cl
InChIInChI=1S/C7H6ClFO2/c1-11-7-3-5(9)6(10)2-4(7)8/h2-3,10H,1H3
InChIKeyLNGPRLKVIRYDMI-UHFFFAOYSA-N
MW176.57 g/mol
LogP2.19
Rot. Bonds1

About 5-chloro-2-fluoro-4-methoxyphenol

5-chloro-2-fluoro-4-methoxyphenol (PubChem CID 84655771) has the molecular formula C7H6ClFO2 and a molecular weight of 176.57 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-methoxyphenol.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-methoxyphenol
PubChem CID84655771
Molecular FormulaC7H6ClFO2
Molecular Weight176.57 g/mol
Exact Mass176.00
IUPAC Name5-chloro-2-fluoro-4-methoxyphenol
SMILESCOc1cc(F)c(O)cc1Cl
InChIInChI=1S/C7H6ClFO2/c1-11-7-3-5(9)6(10)2-4(7)8/h2-3,10H,1H3
InChIKeyLNGPRLKVIRYDMI-UHFFFAOYSA-N
XLogP2.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.57
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
2-bromo-5-chloro-4-methoxyphenol
CID 84700319
(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite
CID 172620902
5-chloro-2-(2-hydroxyethyl)-4-methoxyphenol
CID 117291172
4-chloro-5-methoxy-2-methylphenol
CID 21341377
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
2-tert-butyl-5-chloro-4-methoxyphenol
CID 134599266
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
1-chloro-5-fluoro-4-iodo-2-methoxybenzene
CID 22625607
3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
CID 117303668
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-methoxyphenol?
The IUPAC name of 5-chloro-2-fluoro-4-methoxyphenol (CID 84655771) is 5-chloro-2-fluoro-4-methoxyphenol.
What is the SMILES notation for 5-chloro-2-fluoro-4-methoxyphenol?
The canonical SMILES for 5-chloro-2-fluoro-4-methoxyphenol is COc1cc(F)c(O)cc1Cl.
What is the InChIKey of 5-chloro-2-fluoro-4-methoxyphenol?
The InChIKey is LNGPRLKVIRYDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO2/c1-11-7-3-5(9)6(10)2-4(7)8/h2-3,10H,1H3.
What are the key properties of 5-chloro-2-fluoro-4-methoxyphenol?
5-chloro-2-fluoro-4-methoxyphenol has a molecular weight of 176.57 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-methoxyphenol is sourced from PubChem (CID 84655771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).