3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile

C15H12FNO — CID 103760064

IUPAC3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OCc1cccc(F)c1
InChIInChI=1S/C15H12FNO/c1-11-5-6-12(9-17)8-15(11)18-10-13-3-2-4-14(16)7-13/h2-8H,10H2,1H3
InChIKeyJBZLKCBUBAJVAL-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.58
Rot. Bonds3

About 3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile

3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile (PubChem CID 103760064) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
PubChem CID103760064
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OCc1cccc(F)c1
InChIInChI=1S/C15H12FNO/c1-11-5-6-12(9-17)8-15(11)18-10-13-3-2-4-14(16)7-13/h2-8H,10H2,1H3
InChIKeyJBZLKCBUBAJVAL-UHFFFAOYSA-N
XLogP3.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile
CID 103760137
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
3-[(2-cyano-5-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760048
3-[(2-amino-4-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 107655617
3-[(3-fluorophenyl)methoxy]-4-methylbenzenecarbothioamide
CID 107656435
3-[(2-bromo-3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 107660168
4-[(3-fluorophenyl)methoxy]-3-iodo-5-methoxybenzonitrile
CID 2974967
4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile
CID 155663789
3-[3-[(5-fluoro-2-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 102983248
4-[(3-fluorophenyl)methoxy]-3-methylaniline
CID 22137933
4-methyl-3-(2-phenylmethoxyphenyl)benzonitrile
CID 172914857

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile?
The IUPAC name of 3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile (CID 103760064) is 3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile?
The canonical SMILES for 3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile is Cc1ccc(C#N)cc1OCc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile?
The InChIKey is JBZLKCBUBAJVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-11-5-6-12(9-17)8-15(11)18-10-13-3-2-4-14(16)7-13/h2-8H,10H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile?
3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile has a molecular weight of 241.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile is sourced from PubChem (CID 103760064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).