1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone

C9H8ClFO3 — CID 117311544

IUPAC1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
SMILESCOc1c(O)cc(Cl)c(F)c1C(C)=O
InChIInChI=1S/C9H8ClFO3/c1-4(12)7-8(11)5(10)3-6(13)9(7)14-2/h3,13H,1-2H3
InChIKeyDJLANUPTFJNDHX-UHFFFAOYSA-N
MW218.61 g/mol
LogP2.40
Rot. Bonds2

About 1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone

1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone (PubChem CID 117311544) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
PubChem CID117311544
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone
SMILESCOc1c(O)cc(Cl)c(F)c1C(C)=O
InChIInChI=1S/C9H8ClFO3/c1-4(12)7-8(11)5(10)3-6(13)9(7)14-2/h3,13H,1-2H3
InChIKeyDJLANUPTFJNDHX-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

5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
2-amino-2-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)acetic acid
CID 117377798
1-(3-chloro-2,5,6-trifluorophenyl)ethanone
CID 117298061
3-chloro-2-fluoro-5,6-dimethoxybenzoic acid
CID 117341260
1-(2-chloro-6-hydroxy-3,4-dimethoxyphenyl)ethanone
CID 84693978
1-(3-fluoro-6-hydroxy-2-methoxyphenyl)ethanone
CID 14118953
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117341372
5-chloro-2-fluoro-3-hydroxy-6-methoxybenzenesulfonyl chloride
CID 84810597
methyl 3-acetyl-2,5-difluoro-4-methoxybenzoate
CID 175282660
2-(3-chloro-2-fluoro-5,6-dimethoxyphenyl)-2-oxoacetic acid
CID 117411289
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)ethanone
CID 117473741

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone (CID 117311544) is 1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone is COc1c(O)cc(Cl)c(F)c1C(C)=O.
What is the InChIKey of 1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone?
The InChIKey is DJLANUPTFJNDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c1-4(12)7-8(11)5(10)3-6(13)9(7)14-2/h3,13H,1-2H3.
What are the key properties of 1-(3-chloro-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone?
1-(3-chloro-2-fluoro-5-hydroxy-6-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-2-fluoro-5-hydroxy-6-methoxyphenyl)ethanone is sourced from PubChem (CID 117311544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).