2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid

C12H12F2O4 — CID 118826177

IUPAC2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid
SMILESCC(=O)Cc1cccc(OC(F)F)c1CC(=O)O
InChIInChI=1S/C12H12F2O4/c1-7(15)5-8-3-2-4-10(18-12(13)14)9(8)6-11(16)17/h2-4,12H,5-6H2,1H3,(H,16,17)
InChIKeyHNFNMLFPTZWTGH-UHFFFAOYSA-N
MW258.22 g/mol
LogP2.05
Rot. Bonds6

About 2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid

2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid (PubChem CID 118826177) has the molecular formula C12H12F2O4 and a molecular weight of 258.22 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid
PubChem CID118826177
Molecular FormulaC12H12F2O4
Molecular Weight258.22 g/mol
Exact Mass258.07
IUPAC Name2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid
SMILESCC(=O)Cc1cccc(OC(F)F)c1CC(=O)O
InChIInChI=1S/C12H12F2O4/c1-7(15)5-8-3-2-4-10(18-12(13)14)9(8)6-11(16)17/h2-4,12H,5-6H2,1H3,(H,16,17)
InChIKeyHNFNMLFPTZWTGH-UHFFFAOYSA-N
XLogP2.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)-6-sulfanylphenyl]propan-2-one
CID 118830051
1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one
CID 118835704
1-[2-(difluoromethoxy)-6-iodophenyl]propan-2-one
CID 118818764
2-(difluoromethoxy)-6-(2-oxopropyl)benzonitrile
CID 118808954
1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118852546
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
2-[2-(difluoromethoxy)-5-(2-oxopropyl)phenyl]acetic acid
CID 118809070
1-[2-(fluoromethyl)-3-methoxyphenyl]propan-2-one
CID 84666859
2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
CID 134620938
2-[3-cyano-6-(difluoromethoxy)-2-ethylphenyl]acetic acid
CID 135742929
2-(2-bromo-6-propan-2-yloxyphenyl)acetic acid
CID 83903987
2-[carboxymethyl-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 63644790

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid (CID 118826177) is 2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid is CC(=O)Cc1cccc(OC(F)F)c1CC(=O)O.
What is the InChIKey of 2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid?
The InChIKey is HNFNMLFPTZWTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O4/c1-7(15)5-8-3-2-4-10(18-12(13)14)9(8)6-11(16)17/h2-4,12H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid?
2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid has a molecular weight of 258.22 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-6-(2-oxopropyl)phenyl]acetic acid is sourced from PubChem (CID 118826177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).