1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone

C16H14F2O3 — CID 71248787

IUPAC1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2cc(F)c(F)cc2C(C)=O)cc1
InChIInChI=1S/C16H14F2O3/c1-10(19)13-7-14(17)15(18)8-16(13)21-9-11-3-5-12(20-2)6-4-11/h3-8H,9H2,1-2H3
InChIKeyBOCUNKLKNYAWFC-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.76
Rot. Bonds5

About 1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone

1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone (PubChem CID 71248787) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
PubChem CID71248787
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2cc(F)c(F)cc2C(C)=O)cc1
InChIInChI=1S/C16H14F2O3/c1-10(19)13-7-14(17)15(18)8-16(13)21-9-11-3-5-12(20-2)6-4-11/h3-8H,9H2,1-2H3
InChIKeyBOCUNKLKNYAWFC-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-[2-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863953
1-[2-amino-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91863870
1-[2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]ethanone
CID 163871431
1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
CID 59384444
4-[(2-acetyl-5-methoxyphenoxy)methyl]benzonitrile
CID 12813703
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
1-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]ethanone
CID 91863947
1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 22961575
2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxybenzoic acid
CID 103037706
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone (CID 71248787) is 1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone is COc1ccc(COc2cc(F)c(F)cc2C(C)=O)cc1.
What is the InChIKey of 1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The InChIKey is BOCUNKLKNYAWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O3/c1-10(19)13-7-14(17)15(18)8-16(13)21-9-11-3-5-12(20-2)6-4-11/h3-8H,9H2,1-2H3.
What are the key properties of 1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone has a molecular weight of 292.28 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 71248787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).