3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile

C16H14FNO2 — CID 103760137

IUPAC3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile
SMILESCOc1ccc(COc2cc(C#N)ccc2C)cc1F
InChIInChI=1S/C16H14FNO2/c1-11-3-4-12(9-18)8-16(11)20-10-13-5-6-15(19-2)14(17)7-13/h3-8H,10H2,1-2H3
InChIKeyKIZGTPDSKRIMCI-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.59
Rot. Bonds4

About 3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile

3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile (PubChem CID 103760137) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile
PubChem CID103760137
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile
SMILESCOc1ccc(COc2cc(C#N)ccc2C)cc1F
InChIInChI=1S/C16H14FNO2/c1-11-3-4-12(9-18)8-16(11)20-10-13-5-6-15(19-2)14(17)7-13/h3-8H,10H2,1-2H3
InChIKeyKIZGTPDSKRIMCI-UHFFFAOYSA-N
XLogP3.59
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-methoxybenzonitrile
CID 7893328
3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760064
3-[2-(3-fluoro-4-methoxyphenyl)-2-hydroxyethoxy]-4-methylbenzonitrile
CID 109416668
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004
4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorobenzonitrile
CID 107667707
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487
(3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 7843015
3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 61389153
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
3-[(4-amino-2-fluoro-5-methylphenoxy)methyl]-4-methoxybenzonitrile
CID 114415764
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile (CID 103760137) is 3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile is COc1ccc(COc2cc(C#N)ccc2C)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile?
The InChIKey is KIZGTPDSKRIMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-11-3-4-12(9-18)8-16(11)20-10-13-5-6-15(19-2)14(17)7-13/h3-8H,10H2,1-2H3.
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile?
3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile has a molecular weight of 271.29 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile is sourced from PubChem (CID 103760137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).