3-hydroxy-4-(3-methylphenoxy)benzonitrile

C14H11NO2 — CID 143183163

IUPAC3-hydroxy-4-(3-methylphenoxy)benzonitrile
SMILESCc1cccc(Oc2ccc(C#N)cc2O)c1
InChIInChI=1S/C14H11NO2/c1-10-3-2-4-12(7-10)17-14-6-5-11(9-15)8-13(14)16/h2-8,16H,1H3
InChIKeyPNLDJTCGERZYCF-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.36
Rot. Bonds2

About 3-hydroxy-4-(3-methylphenoxy)benzonitrile

3-hydroxy-4-(3-methylphenoxy)benzonitrile (PubChem CID 143183163) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-hydroxy-4-(3-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name3-hydroxy-4-(3-methylphenoxy)benzonitrile
PubChem CID143183163
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-hydroxy-4-(3-methylphenoxy)benzonitrile
SMILESCc1cccc(Oc2ccc(C#N)cc2O)c1
InChIInChI=1S/C14H11NO2/c1-10-3-2-4-12(7-10)17-14-6-5-11(9-15)8-13(14)16/h2-8,16H,1H3
InChIKeyPNLDJTCGERZYCF-UHFFFAOYSA-N
XLogP3.36
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile
CID 143183176
2-(3-methylphenoxy)phenol
CID 22051950
5-methyl-2-(3-methylphenoxy)benzonitrile
CID 107928086
4-(4-chlorophenoxy)-3-hydroxybenzonitrile
CID 135373937
2,3-bis(3-methylphenoxy)phenol
CID 139940679
2,4-bis(3-methylphenoxy)phenol
CID 139941781
3-hydroxy-4-methoxybenzonitrile;methanol
CID 174363107
3-(5-cyano-2-methylphenoxy)benzoic acid
CID 107658929
3-(3-acetylphenoxy)-4-methylbenzonitrile
CID 107658586
1-[5-cyano-2-(3-methylphenoxy)phenyl]sulfonyl-3-propan-2-ylurea
CID 71740180
3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
2,3,6-trimethyl-4-(3-methylphenoxy)phenol
CID 18994518

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(3-methylphenoxy)benzonitrile?
The IUPAC name of 3-hydroxy-4-(3-methylphenoxy)benzonitrile (CID 143183163) is 3-hydroxy-4-(3-methylphenoxy)benzonitrile.
What is the SMILES notation for 3-hydroxy-4-(3-methylphenoxy)benzonitrile?
The canonical SMILES for 3-hydroxy-4-(3-methylphenoxy)benzonitrile is Cc1cccc(Oc2ccc(C#N)cc2O)c1.
What is the InChIKey of 3-hydroxy-4-(3-methylphenoxy)benzonitrile?
The InChIKey is PNLDJTCGERZYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-10-3-2-4-12(7-10)17-14-6-5-11(9-15)8-13(14)16/h2-8,16H,1H3.
What are the key properties of 3-hydroxy-4-(3-methylphenoxy)benzonitrile?
3-hydroxy-4-(3-methylphenoxy)benzonitrile has a molecular weight of 225.25 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(3-methylphenoxy)benzonitrile is sourced from PubChem (CID 143183163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).