4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile

C15H12FNO — CID 43657436

IUPAC4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile
SMILESCc1cccc(Oc2ccc(C#N)cc2F)c1C
InChIInChI=1S/C15H12FNO/c1-10-4-3-5-14(11(10)2)18-15-7-6-12(9-17)8-13(15)16/h3-8H,1-2H3
InChIKeyDWTRBDPPHFWBKC-UHFFFAOYSA-N
MW241.26 g/mol
LogP4.11
Rot. Bonds2

About 4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile

4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile (PubChem CID 43657436) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile
PubChem CID43657436
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile
SMILESCc1cccc(Oc2ccc(C#N)cc2F)c1C
InChIInChI=1S/C15H12FNO/c1-10-4-3-5-14(11(10)2)18-15-7-6-12(9-17)8-13(15)16/h3-8H,1-2H3
InChIKeyDWTRBDPPHFWBKC-UHFFFAOYSA-N
XLogP4.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-3-methylphenoxy)-3-fluorobenzonitrile
CID 43657243
4-(2-fluorophenoxy)-3-methylbenzonitrile
CID 54934331
3-fluoro-4-(2-methoxyphenoxy)benzonitrile
CID 43657455
4-[2-[(1R)-1-aminoethyl]-3-fluorophenoxy]-3-fluorobenzonitrile
CID 107665517
3-bromo-4-(2-fluoro-3-methylphenoxy)benzonitrile
CID 107658057
4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile
CID 103792189
4-[2-(1-aminoethyl)-3-methoxyphenoxy]-3-fluorobenzonitrile
CID 107665589
3-fluoro-4-[2-(1-hydroxyethyl)phenoxy]benzonitrile
CID 107666090
3-fluoro-4-[2-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666030
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
4-(2-chloro-4-fluorophenoxy)-3-fluorobenzonitrile
CID 54880085
4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
CID 63511378

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile?
The IUPAC name of 4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile (CID 43657436) is 4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile is Cc1cccc(Oc2ccc(C#N)cc2F)c1C.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile?
The InChIKey is DWTRBDPPHFWBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-10-4-3-5-14(11(10)2)18-15-7-6-12(9-17)8-13(15)16/h3-8H,1-2H3.
What are the key properties of 4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile?
4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile has a molecular weight of 241.26 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-3-fluorobenzonitrile is sourced from PubChem (CID 43657436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).