1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone

C16H14F2O3 — CID 146006170

IUPAC1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
SMILESCOc1cc(F)c(F)cc1C(=O)COCc1ccccc1
InChIInChI=1S/C16H14F2O3/c1-20-16-8-14(18)13(17)7-12(16)15(19)10-21-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyLHDJBVQNQDEAQQ-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.37
Rot. Bonds6

About 1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone

1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone (PubChem CID 146006170) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
PubChem CID146006170
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
SMILESCOc1cc(F)c(F)cc1C(=O)COCc1ccccc1
InChIInChI=1S/C16H14F2O3/c1-20-16-8-14(18)13(17)7-12(16)15(19)10-21-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3
InChIKeyLHDJBVQNQDEAQQ-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
2-[(3-bromophenyl)methoxy]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 82809087
1-(2-methylphenyl)-2-phenylmethoxyethanone
CID 62029251
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 62866029
1-(2,5-dichlorophenyl)-2-phenylmethoxyethanone
CID 62030960
1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455
methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate
CID 146010495
2-[(3-chlorophenyl)methoxy]-1-(2-methoxyphenyl)ethanone
CID 65126569
1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone
CID 146011181

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone (CID 146006170) is 1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone is COc1cc(F)c(F)cc1C(=O)COCc1ccccc1.
What is the InChIKey of 1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone?
The InChIKey is LHDJBVQNQDEAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O3/c1-20-16-8-14(18)13(17)7-12(16)15(19)10-21-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone?
1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone has a molecular weight of 292.28 g/mol, XLogP of 3.37, 6 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-methoxyphenyl)-2-phenylmethoxyethanone is sourced from PubChem (CID 146006170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).