4-(3-methoxyphenoxy)benzonitrile

C14H11NO2 — CID 15643687

IUPAC4-(3-methoxyphenoxy)benzonitrile
SMILESCOc1cccc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C14H11NO2/c1-16-13-3-2-4-14(9-13)17-12-7-5-11(10-15)6-8-12/h2-9H,1H3
InChIKeyUTKIIZNPFKFHQX-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.36
Rot. Bonds3

About 4-(3-methoxyphenoxy)benzonitrile

4-(3-methoxyphenoxy)benzonitrile (PubChem CID 15643687) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)benzonitrile
PubChem CID15643687
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name4-(3-methoxyphenoxy)benzonitrile
SMILESCOc1cccc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C14H11NO2/c1-16-13-3-2-4-14(9-13)17-12-7-5-11(10-15)6-8-12/h2-9H,1H3
InChIKeyUTKIIZNPFKFHQX-UHFFFAOYSA-N
XLogP3.36
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
4-(3-iodophenoxy)benzonitrile
CID 43137980
4-methoxy(13C)benzonitrile
CID 175991125
azane;1,3-dimethoxybenzene
CID 70210283
4-(3-formylphenoxy)benzonitrile
CID 13238540
(4-cyanophenyl) 3-methoxybenzoate
CID 532539
4-[3-[[3-(4-cyanophenoxy)anilino]sulfanylamino]phenoxy]benzonitrile
CID 126674701
3-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103567890
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
3-(3-methoxyphenyl)benzonitrile
CID 4189594
4-(8-methylnaphthalen-2-yl)oxybenzonitrile
CID 126674699

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)benzonitrile?
The IUPAC name of 4-(3-methoxyphenoxy)benzonitrile (CID 15643687) is 4-(3-methoxyphenoxy)benzonitrile.
What is the SMILES notation for 4-(3-methoxyphenoxy)benzonitrile?
The canonical SMILES for 4-(3-methoxyphenoxy)benzonitrile is COc1cccc(Oc2ccc(C#N)cc2)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)benzonitrile?
The InChIKey is UTKIIZNPFKFHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-16-13-3-2-4-14(9-13)17-12-7-5-11(10-15)6-8-12/h2-9H,1H3.
What are the key properties of 4-(3-methoxyphenoxy)benzonitrile?
4-(3-methoxyphenoxy)benzonitrile has a molecular weight of 225.25 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)benzonitrile is sourced from PubChem (CID 15643687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).