4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol

C9H10ClFO3 — CID 117314991

IUPAC4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol
SMILESCOc1c(Cl)cc(CCO)c(O)c1F
InChIInChI=1S/C9H10ClFO3/c1-14-9-6(10)4-5(2-3-12)8(13)7(9)11/h4,12-13H,2-3H2,1H3
InChIKeyOAZFFRDBZQGJTI-UHFFFAOYSA-N
MW220.63 g/mol
LogP1.73
Rot. Bonds3

About 4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol

4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol (PubChem CID 117314991) has the molecular formula C9H10ClFO3 and a molecular weight of 220.63 g/mol. Its IUPAC name is 4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol.

Molecular Properties

Compound Name4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol
PubChem CID117314991
Molecular FormulaC9H10ClFO3
Molecular Weight220.63 g/mol
Exact Mass220.03
IUPAC Name4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol
SMILESCOc1c(Cl)cc(CCO)c(O)c1F
InChIInChI=1S/C9H10ClFO3/c1-14-9-6(10)4-5(2-3-12)8(13)7(9)11/h4,12-13H,2-3H2,1H3
InChIKeyOAZFFRDBZQGJTI-UHFFFAOYSA-N
XLogP1.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.63
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-3-fluoro-2-hydroxy-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117443306
(5-chloro-2,3-difluoro-4-methoxyphenyl)methanamine
CID 84675684
3-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 84706671
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086
3-(5-chloro-2,3-difluoro-4-methoxyphenyl)propanoic acid
CID 117379989
5-chloro-2-(2-hydroxyethyl)-4-methoxyphenol
CID 117291172
6-(2-aminopropan-2-yl)-4-chloro-2-fluoro-3-methoxyphenol
CID 84796633
2-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84813869
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343
2-(3-fluoro-2-hydroxy-4-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84812519
4-bromo-6-chloro-2-fluoro-3-methoxyphenol
CID 84805039
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol?
The IUPAC name of 4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol (CID 117314991) is 4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol.
What is the SMILES notation for 4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol?
The canonical SMILES for 4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol is COc1c(Cl)cc(CCO)c(O)c1F.
What is the InChIKey of 4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol?
The InChIKey is OAZFFRDBZQGJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO3/c1-14-9-6(10)4-5(2-3-12)8(13)7(9)11/h4,12-13H,2-3H2,1H3.
What are the key properties of 4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol?
4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol has a molecular weight of 220.63 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol is sourced from PubChem (CID 117314991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).