1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one

C16H14F2O2 — CID 105403559

IUPAC1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H14F2O2/c1-11(19)6-12-2-4-16(5-3-12)20-10-13-7-14(17)9-15(18)8-13/h2-5,7-9H,6,10H2,1H3
InChIKeyAKDPHCMMGNXSHW-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.68
Rot. Bonds5

About 1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one

1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one (PubChem CID 105403559) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
PubChem CID105403559
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C16H14F2O2/c1-11(19)6-12-2-4-16(5-3-12)20-10-13-7-14(17)9-15(18)8-13/h2-5,7-9H,6,10H2,1H3
InChIKeyAKDPHCMMGNXSHW-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one
CID 115495326
1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one
CID 115495303
4-fluoro-3-[[4-(2-oxopropyl)phenoxy]methyl]benzonitrile
CID 115495414
1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one
CID 67943342
1-(3-ethoxy-5-fluorophenyl)propan-2-one
CID 118813373
1-[4-(ethoxymethoxy)phenyl]propan-2-one
CID 115495404
2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
CID 121482377
1-[4-(2-ethyl-2-hydroxybutoxy)phenyl]propan-2-one
CID 114493928

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one?
The IUPAC name of 1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one (CID 105403559) is 1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one is CC(=O)Cc1ccc(OCc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one?
The InChIKey is AKDPHCMMGNXSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-11(19)6-12-2-4-16(5-3-12)20-10-13-7-14(17)9-15(18)8-13/h2-5,7-9H,6,10H2,1H3.
What are the key properties of 1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one?
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one has a molecular weight of 276.28 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one is sourced from PubChem (CID 105403559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).