4-hydroxybenzonitrile

C14H10N2O2 — CID 53435365

IUPAC4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1
InChIInChI=1S/2C7H5NO/c2*8-5-6-1-3-7(9)4-2-6/h2*1-4,9H
InChIKeyNZAYZRTUFJDPKK-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.53
Rot. Bonds

About 4-hydroxybenzonitrile

4-hydroxybenzonitrile (PubChem CID 53435365) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-hydroxybenzonitrile.

Molecular Properties

Compound Name4-hydroxybenzonitrile
PubChem CID53435365
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1
InChIInChI=1S/2C7H5NO/c2*8-5-6-1-3-7(9)4-2-6/h2*1-4,9H
InChIKeyNZAYZRTUFJDPKK-UHFFFAOYSA-N
XLogP2.53
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(4-hydroxybenzonitrile);zirconium(2+);dichloride
CID 174392675
4-[2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71093897
4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile
CID 125469519
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871
4-hydroxybenzonitrile;3-prop-2-enoxyprop-1-ene
CID 21472413
bis(4-hydroxybenzonitrile);4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139038975
2,4-difluorophenol;4-hydroxybenzonitrile
CID 174859454
4-[(4-hydroxyanilino)methyl]benzonitrile
CID 43742708
(4-cyanophenyl)imino-(4-hydroxyphenyl)-oxidoazanium
CID 142757545
4-[(4-hydroxyphenyl)sulfanylmethyl]benzonitrile
CID 47262874
4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile
CID 15541186

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzonitrile?
The IUPAC name of 4-hydroxybenzonitrile (CID 53435365) is 4-hydroxybenzonitrile.
What is the SMILES notation for 4-hydroxybenzonitrile?
The canonical SMILES for 4-hydroxybenzonitrile is N#Cc1ccc(O)cc1.N#Cc1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzonitrile?
The InChIKey is NZAYZRTUFJDPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5NO/c2*8-5-6-1-3-7(9)4-2-6/h2*1-4,9H.
What are the key properties of 4-hydroxybenzonitrile?
4-hydroxybenzonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzonitrile is sourced from PubChem (CID 53435365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).