2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile

C15H12FNO2 — CID 54073521

IUPAC2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile
SMILESCOc1ccc(Oc2cc(CC#N)ccc2F)cc1
InChIInChI=1S/C15H12FNO2/c1-18-12-3-5-13(6-4-12)19-15-10-11(8-9-17)2-7-14(15)16/h2-7,10H,8H2,1H3
InChIKeyZYHPNGNQXNQDLV-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.69
Rot. Bonds4

About 2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile

2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile (PubChem CID 54073521) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile
PubChem CID54073521
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile
SMILESCOc1ccc(Oc2cc(CC#N)ccc2F)cc1
InChIInChI=1S/C15H12FNO2/c1-18-12-3-5-13(6-4-12)19-15-10-11(8-9-17)2-7-14(15)16/h2-7,10H,8H2,1H3
InChIKeyZYHPNGNQXNQDLV-UHFFFAOYSA-N
XLogP3.69
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-fluoro-3-(4-fluorophenoxy)phenyl]acetonitrile
CID 54234925
2-(4-fluoro-3-phenoxyphenyl)acetonitrile
CID 11172199
2-[3-(3-bromophenoxy)-4-fluorophenyl]acetonitrile
CID 18456835
4-[4-(cyanomethyl)phenoxy]-3-fluorobenzonitrile
CID 43657432
2-[3-[4-(cyanomethyl)-2-methoxyphenoxy]phenyl]acetonitrile
CID 139463123
2-(4-fluoro-3-pyridin-2-yloxyphenyl)acetonitrile
CID 54472128
2-[4-(2-amino-4-fluoro-5-methylphenoxy)phenyl]acetonitrile
CID 103590907
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309
4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
CID 107087234
2-[3-[(2,6-dimethylphenyl)methoxy]-4-fluorophenyl]acetonitrile
CID 66874991
2-[4-(2-amino-5-chlorophenoxy)phenyl]acetonitrile
CID 115469218
2-(4-chlorophenoxy)-4-[[3-(4-chlorophenoxy)-4-fluorophenyl]methoxymethyl]-1-fluorobenzene
CID 139679017

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile?
The IUPAC name of 2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile (CID 54073521) is 2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile is COc1ccc(Oc2cc(CC#N)ccc2F)cc1.
What is the InChIKey of 2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile?
The InChIKey is ZYHPNGNQXNQDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-18-12-3-5-13(6-4-12)19-15-10-11(8-9-17)2-7-14(15)16/h2-7,10H,8H2,1H3.
What are the key properties of 2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile?
2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile has a molecular weight of 257.26 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile is sourced from PubChem (CID 54073521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).