5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile

C15H13NO3 — CID 71661271

IUPAC5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile
SMILESCOc1ccc(COc2ccc(O)cc2C#N)cc1
InChIInChI=1S/C15H13NO3/c1-18-14-5-2-11(3-6-14)10-19-15-7-4-13(17)8-12(15)9-16/h2-8,17H,10H2,1H3
InChIKeySBAOXRBCNNHPLY-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.85
Rot. Bonds4

About 5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile

5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile (PubChem CID 71661271) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile
PubChem CID71661271
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile
SMILESCOc1ccc(COc2ccc(O)cc2C#N)cc1
InChIInChI=1S/C15H13NO3/c1-18-14-5-2-11(3-6-14)10-19-15-7-4-13(17)8-12(15)9-16/h2-8,17H,10H2,1H3
InChIKeySBAOXRBCNNHPLY-UHFFFAOYSA-N
XLogP2.85
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile
CID 175299155
ethane;4-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzonitrile
CID 142617819
5-(3-methoxyphenyl)-2-phenylmethoxybenzonitrile
CID 175686469
2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile
CID 22683873
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
5-bromo-2-[(3,4-dimethoxyphenyl)methoxy]benzonitrile
CID 80698460
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763
4-[[2,4-dibenzoyl-5-[(4-methoxyphenyl)methoxy]phenoxy]methyl]benzonitrile
CID 10325338
5-methoxy-2-(2-oxopropoxy)benzonitrile
CID 2917169
3-[(4-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80509914
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
4-[(3,5-dimethoxyphenoxy)methyl]benzonitrile
CID 7707174

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile?
The IUPAC name of 5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile (CID 71661271) is 5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile.
What is the SMILES notation for 5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile?
The canonical SMILES for 5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile is COc1ccc(COc2ccc(O)cc2C#N)cc1.
What is the InChIKey of 5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile?
The InChIKey is SBAOXRBCNNHPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-14-5-2-11(3-6-14)10-19-15-7-4-13(17)8-12(15)9-16/h2-8,17H,10H2,1H3.
What are the key properties of 5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile?
5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile has a molecular weight of 255.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(4-methoxyphenyl)methoxy]benzonitrile is sourced from PubChem (CID 71661271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).