1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one

C10H10ClFO2 — CID 54232083

IUPAC1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one
SMILESCOc1c(F)ccc(CC(C)=O)c1Cl
InChIInChI=1S/C10H10ClFO2/c1-6(13)5-7-3-4-8(12)10(14-2)9(7)11/h3-4H,5H2,1-2H3
InChIKeyDBOCCUAYPGTWLO-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.62
Rot. Bonds3

About 1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one

1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one (PubChem CID 54232083) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one
PubChem CID54232083
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one
SMILESCOc1c(F)ccc(CC(C)=O)c1Cl
InChIInChI=1S/C10H10ClFO2/c1-6(13)5-7-3-4-8(12)10(14-2)9(7)11/h3-4H,5H2,1-2H3
InChIKeyDBOCCUAYPGTWLO-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluoro-3-methoxyphenyl)methanol
CID 171005170
2-chloro-4-fluoro-3-methoxybenzamide
CID 163198226
1-(3,5-difluoro-2-methoxyphenyl)propan-2-one
CID 83880632
4-(3-chloro-4-fluoro-2-methoxyphenyl)butanoic acid
CID 117369147
2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide
CID 162421154
1-[5-chloro-2-(methoxymethyl)phenyl]propan-2-one
CID 83885913
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one
CID 84694021
1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one
CID 117287591
1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one
CID 84792455
1-[3-(chloromethyl)-2-methoxyphenyl]propan-2-one
CID 118843525
1-(3-hydroxy-2-methoxy-4-methylphenyl)propan-2-one
CID 117284457
1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one
CID 84797165

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one (CID 54232083) is 1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one is COc1c(F)ccc(CC(C)=O)c1Cl.
What is the InChIKey of 1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one?
The InChIKey is DBOCCUAYPGTWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-6(13)5-7-3-4-8(12)10(14-2)9(7)11/h3-4H,5H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one?
1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one has a molecular weight of 216.64 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 54232083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).