2-methyl-5-phenoxybenzonitrile

C14H11NO — CID 156815306

IUPAC2-methyl-5-phenoxybenzonitrile
SMILESCc1ccc(Oc2ccccc2)cc1C#N
InChIInChI=1S/C14H11NO/c1-11-7-8-14(9-12(11)10-15)16-13-5-3-2-4-6-13/h2-9H,1H3
InChIKeyVHIFIPUUWMZQMH-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.66
Rot. Bonds2

About 2-methyl-5-phenoxybenzonitrile

2-methyl-5-phenoxybenzonitrile (PubChem CID 156815306) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-5-phenoxybenzonitrile.

Molecular Properties

Compound Name2-methyl-5-phenoxybenzonitrile
PubChem CID156815306
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name2-methyl-5-phenoxybenzonitrile
SMILESCc1ccc(Oc2ccccc2)cc1C#N
InChIInChI=1S/C14H11NO/c1-11-7-8-14(9-12(11)10-15)16-13-5-3-2-4-6-13/h2-9H,1H3
InChIKeyVHIFIPUUWMZQMH-UHFFFAOYSA-N
XLogP3.66
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667751
4-(3,4-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667750
4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile
CID 746627
4,5-diphenoxybenzene-1,2-dicarbonitrile
CID 680327
4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
CID 139067374
4-(3-amino-4-methylphenoxy)-2-methylbenzonitrile
CID 114252551
4-(4-bromo-3-methylphenoxy)benzene-1,2-dicarbonitrile
CID 173062363
4-[3,5-bis(3,4-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 71363047
2-methyl-4-phenoxyphenol
CID 23089676
benzene-1,2-diamine;4-(3,4-dicyanophenoxy)benzoic acid
CID 174727909
4-[3-[hydroxy(phenyl)methyl]phenoxy]benzene-1,2-dicarbonitrile
CID 21297486
5-phenoxybenzene-1,3-dicarbonitrile
CID 76539682

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenoxybenzonitrile?
The IUPAC name of 2-methyl-5-phenoxybenzonitrile (CID 156815306) is 2-methyl-5-phenoxybenzonitrile.
What is the SMILES notation for 2-methyl-5-phenoxybenzonitrile?
The canonical SMILES for 2-methyl-5-phenoxybenzonitrile is Cc1ccc(Oc2ccccc2)cc1C#N.
What is the InChIKey of 2-methyl-5-phenoxybenzonitrile?
The InChIKey is VHIFIPUUWMZQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-11-7-8-14(9-12(11)10-15)16-13-5-3-2-4-6-13/h2-9H,1H3.
What are the key properties of 2-methyl-5-phenoxybenzonitrile?
2-methyl-5-phenoxybenzonitrile has a molecular weight of 209.25 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenoxybenzonitrile is sourced from PubChem (CID 156815306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).