2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone

C15H12F2O4 — CID 118401895

IUPAC2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone
SMILESCc1cc(C(=O)COc2ccc(F)cc2F)c(O)cc1O
InChIInChI=1S/C15H12F2O4/c1-8-4-10(13(19)6-12(8)18)14(20)7-21-15-3-2-9(16)5-11(15)17/h2-6,18-19H,7H2,1H3
InChIKeyDGBADGDQZZFMKC-UHFFFAOYSA-N
MW294.25 g/mol
LogP2.95
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone

2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone (PubChem CID 118401895) has the molecular formula C15H12F2O4 and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone
PubChem CID118401895
Molecular FormulaC15H12F2O4
Molecular Weight294.25 g/mol
Exact Mass294.07
IUPAC Name2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone
SMILESCc1cc(C(=O)COc2ccc(F)cc2F)c(O)cc1O
InChIInChI=1S/C15H12F2O4/c1-8-4-10(13(19)6-12(8)18)14(20)7-21-15-3-2-9(16)5-11(15)17/h2-6,18-19H,7H2,1H3
InChIKeyDGBADGDQZZFMKC-UHFFFAOYSA-N
XLogP2.95
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanone
CID 102982740
2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
CID 78790506
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-(2,5-difluorophenoxy)-1-(2-methylphenyl)ethanone
CID 55169275
2-(4-bromo-2-fluorophenoxy)-1-(2,5-difluorophenyl)ethanone
CID 60626920
1-(2,4-dihydroxy-5-propylphenyl)-2-(2-fluorophenoxy)ethanone;1-(2,4-dihydroxy-5-propylphenyl)-2-(3-fluorophenoxy)ethanone
CID 144606938
2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 63269744
2-(2,4-difluorophenoxy)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone
CID 39908072
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222190
1-(3-bromo-4-methoxyphenyl)-2-(2,4-difluorophenoxy)ethanone
CID 43218884
2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43413586

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone (CID 118401895) is 2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone is Cc1cc(C(=O)COc2ccc(F)cc2F)c(O)cc1O.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone?
The InChIKey is DGBADGDQZZFMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O4/c1-8-4-10(13(19)6-12(8)18)14(20)7-21-15-3-2-9(16)5-11(15)17/h2-6,18-19H,7H2,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone?
2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone has a molecular weight of 294.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone is sourced from PubChem (CID 118401895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).