bis(4-fluoro-3-phenoxyphenyl)methanone

C25H16F2O3 — CID 67872405

IUPACbis(4-fluoro-3-phenoxyphenyl)methanone
SMILESO=C(c1ccc(F)c(Oc2ccccc2)c1)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C25H16F2O3/c26-21-13-11-17(15-23(21)29-19-7-3-1-4-8-19)25(28)18-12-14-22(27)24(16-18)30-20-9-5-2-6-10-20/h1-16H
InChIKeyICEZXDFHYYBIAM-UHFFFAOYSA-N
MW402.40 g/mol
LogP6.78
Rot. Bonds6

About bis(4-fluoro-3-phenoxyphenyl)methanone

bis(4-fluoro-3-phenoxyphenyl)methanone (PubChem CID 67872405) has the molecular formula C25H16F2O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is bis(4-fluoro-3-phenoxyphenyl)methanone.

Molecular Properties

Compound Namebis(4-fluoro-3-phenoxyphenyl)methanone
PubChem CID67872405
Molecular FormulaC25H16F2O3
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Namebis(4-fluoro-3-phenoxyphenyl)methanone
SMILESO=C(c1ccc(F)c(Oc2ccccc2)c1)c1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C25H16F2O3/c26-21-13-11-17(15-23(21)29-19-7-3-1-4-8-19)25(28)18-12-14-22(27)24(16-18)30-20-9-5-2-6-10-20/h1-16H
InChIKeyICEZXDFHYYBIAM-UHFFFAOYSA-N
XLogP6.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
N-butyl-4-fluoro-3-phenoxybenzamide
CID 134100866
1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone
CID 58187299
(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone
CID 114970401
3,4-diphenoxybenzoic acid
CID 70590459
[6-(3-methyl-4-phenoxybenzoyl)naphthalen-2-yl]-(3-methyl-4-phenoxyphenyl)methanone
CID 23054764
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone
CID 91388813
4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
CID 13368776
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871

Frequently Asked Questions

What is the IUPAC name of bis(4-fluoro-3-phenoxyphenyl)methanone?
The IUPAC name of bis(4-fluoro-3-phenoxyphenyl)methanone (CID 67872405) is bis(4-fluoro-3-phenoxyphenyl)methanone.
What is the SMILES notation for bis(4-fluoro-3-phenoxyphenyl)methanone?
The canonical SMILES for bis(4-fluoro-3-phenoxyphenyl)methanone is O=C(c1ccc(F)c(Oc2ccccc2)c1)c1ccc(F)c(Oc2ccccc2)c1.
What is the InChIKey of bis(4-fluoro-3-phenoxyphenyl)methanone?
The InChIKey is ICEZXDFHYYBIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2O3/c26-21-13-11-17(15-23(21)29-19-7-3-1-4-8-19)25(28)18-12-14-22(27)24(16-18)30-20-9-5-2-6-10-20/h1-16H.
What are the key properties of bis(4-fluoro-3-phenoxyphenyl)methanone?
bis(4-fluoro-3-phenoxyphenyl)methanone has a molecular weight of 402.40 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluoro-3-phenoxyphenyl)methanone is sourced from PubChem (CID 67872405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).