1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone

C9H8ClFO3 — CID 84786410

IUPAC1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone
SMILESCOc1c(F)cc(C(C)=O)c(O)c1Cl
InChIInChI=1S/C9H8ClFO3/c1-4(12)5-3-6(11)9(14-2)7(10)8(5)13/h3,13H,1-2H3
InChIKeyZRRRAWZQSWRDJX-UHFFFAOYSA-N
MW218.61 g/mol
LogP2.40
Rot. Bonds2

About 1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone

1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone (PubChem CID 84786410) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone
PubChem CID84786410
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone
SMILESCOc1c(F)cc(C(C)=O)c(O)c1Cl
InChIInChI=1S/C9H8ClFO3/c1-4(12)5-3-6(11)9(14-2)7(10)8(5)13/h3,13H,1-2H3
InChIKeyZRRRAWZQSWRDJX-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluoro-4-methoxyphenyl)ethanone
CID 2736983
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)ethanone
CID 84668084
1-(4-chloro-2,3,5-trifluorophenyl)ethanone
CID 117112116
1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]ethanone
CID 84669284
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348
methyl 3-acetyl-2,5-difluoro-4-methoxybenzoate
CID 175282660
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]ethanone
CID 83885726
1-(3-fluoro-2-methoxy-5-nitrophenyl)ethanone
CID 117303485
2,4,5-trifluoro-3-methoxybenzoyl chloride
CID 2775281
2-chloro-4-fluoro-3-methoxybenzamide
CID 163198226
5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid
CID 19691011
1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
CID 117311544

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone (CID 84786410) is 1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone is COc1c(F)cc(C(C)=O)c(O)c1Cl.
What is the InChIKey of 1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone?
The InChIKey is ZRRRAWZQSWRDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c1-4(12)5-3-6(11)9(14-2)7(10)8(5)13/h3,13H,1-2H3.
What are the key properties of 1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone?
1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone has a molecular weight of 218.61 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-2-hydroxy-4-methoxyphenyl)ethanone is sourced from PubChem (CID 84786410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).