3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one

C17H16F2O3 — CID 53417201

IUPAC3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H16F2O3/c1-21-16-8-5-12(9-17(16)22-2)15(20)7-4-11-3-6-13(18)10-14(11)19/h3,5-6,8-10H,4,7H2,1-2H3
InChIKeyOKGZTCIRYWLEPJ-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.80
Rot. Bonds6

About 3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one

3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one (PubChem CID 53417201) has the molecular formula C17H16F2O3 and a molecular weight of 306.31 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
PubChem CID53417201
Molecular FormulaC17H16F2O3
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Name3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C17H16F2O3/c1-21-16-8-5-12(9-17(16)22-2)15(20)7-4-11-3-6-13(18)10-14(11)19/h3,5-6,8-10H,4,7H2,1-2H3
InChIKeyOKGZTCIRYWLEPJ-UHFFFAOYSA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034
2-(2-chloro-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)ethanone
CID 62621300
3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
CID 82782955
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
1-(3,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 53415502
1-(3-fluoro-4-methoxyphenyl)-3-(5-methylfuran-2-yl)propan-1-one
CID 53415620
4-(2,4-difluorophenyl)butan-2-one
CID 62197971
[(1S)-1-cyano-2-(2,4-difluorophenyl)ethyl] 3,4-dimethoxybenzoate
CID 97352997
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
1-(3-fluoro-4-methoxyphenyl)-3-phenylpropan-1-one
CID 43474033

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one?
The IUPAC name of 3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one (CID 53417201) is 3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one is COc1ccc(C(=O)CCc2ccc(F)cc2F)cc1OC.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one?
The InChIKey is OKGZTCIRYWLEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O3/c1-21-16-8-5-12(9-17(16)22-2)15(20)7-4-11-3-6-13(18)10-14(11)19/h3,5-6,8-10H,4,7H2,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one?
3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one has a molecular weight of 306.31 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-(3,4-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 53417201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).