bis(3-fluoro-2-methoxyphenyl)methanone

C15H12F2O3 — CID 174934550

IUPACbis(3-fluoro-2-methoxyphenyl)methanone
SMILESCOc1c(F)cccc1C(=O)c1cccc(F)c1OC
InChIInChI=1S/C15H12F2O3/c1-19-14-9(5-3-7-11(14)16)13(18)10-6-4-8-12(17)15(10)20-2/h3-8H,1-2H3
InChIKeyOMOIYHZDIKFWKX-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.21
Rot. Bonds4

About bis(3-fluoro-2-methoxyphenyl)methanone

bis(3-fluoro-2-methoxyphenyl)methanone (PubChem CID 174934550) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is bis(3-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Namebis(3-fluoro-2-methoxyphenyl)methanone
PubChem CID174934550
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Namebis(3-fluoro-2-methoxyphenyl)methanone
SMILESCOc1c(F)cccc1C(=O)c1cccc(F)c1OC
InChIInChI=1S/C15H12F2O3/c1-19-14-9(5-3-7-11(14)16)13(18)10-6-4-8-12(17)15(10)20-2/h3-8H,1-2H3
InChIKeyOMOIYHZDIKFWKX-UHFFFAOYSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 69108587
1-(3-fluoro-2-methoxyphenyl)butan-1-one
CID 66969417
2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-one
CID 82399071
(2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone
CID 57049068
3-chloro-1-(3-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 146008428
3-fluoro-N-(4-fluorophenyl)-2-methoxybenzamide
CID 175986233
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
2-ethyl-1-(3-fluoro-2-methoxyphenyl)hexan-1-one
CID 146008444
(2-fluorophenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
CID 15750347
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005

Frequently Asked Questions

What is the IUPAC name of bis(3-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of bis(3-fluoro-2-methoxyphenyl)methanone (CID 174934550) is bis(3-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for bis(3-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for bis(3-fluoro-2-methoxyphenyl)methanone is COc1c(F)cccc1C(=O)c1cccc(F)c1OC.
What is the InChIKey of bis(3-fluoro-2-methoxyphenyl)methanone?
The InChIKey is OMOIYHZDIKFWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-19-14-9(5-3-7-11(14)16)13(18)10-6-4-8-12(17)15(10)20-2/h3-8H,1-2H3.
What are the key properties of bis(3-fluoro-2-methoxyphenyl)methanone?
bis(3-fluoro-2-methoxyphenyl)methanone has a molecular weight of 278.25 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 174934550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).