4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile

C15H11F2NO2 — CID 43231298

IUPAC4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCc1cccc(F)c1F
InChIInChI=1S/C15H11F2NO2/c1-19-14-7-10(8-18)5-6-13(14)20-9-11-3-2-4-12(16)15(11)17/h2-7H,9H2,1H3
InChIKeyQDOOIZAZPQQACX-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.42
Rot. Bonds4

About 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile

4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile (PubChem CID 43231298) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
PubChem CID43231298
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1OCc1cccc(F)c1F
InChIInChI=1S/C15H11F2NO2/c1-19-14-7-10(8-18)5-6-13(14)20-9-11-3-2-4-12(16)15(11)17/h2-7H,9H2,1H3
InChIKeyQDOOIZAZPQQACX-UHFFFAOYSA-N
XLogP3.42
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 60695071
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid
CID 43233816
3-[(2,3-difluorophenyl)methoxy]benzonitrile
CID 43231297
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463
4-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792136
3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792137
3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile
CID 60656824
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
3-[(2-bromo-3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 107660168
3-fluoro-4-[(4-formyl-2-methoxyphenoxy)methyl]benzonitrile
CID 24706374
4-[(4-acetyl-2-methoxyphenoxy)methyl]-3-fluorobenzonitrile
CID 24696704
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile?
The IUPAC name of 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile (CID 43231298) is 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile is COc1cc(C#N)ccc1OCc1cccc(F)c1F.
What is the InChIKey of 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile?
The InChIKey is QDOOIZAZPQQACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c1-19-14-7-10(8-18)5-6-13(14)20-9-11-3-2-4-12(16)15(11)17/h2-7H,9H2,1H3.
What are the key properties of 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile?
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile has a molecular weight of 275.25 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile is sourced from PubChem (CID 43231298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).