(3-cyano-4-hydroxyphenyl) formate

C8H5NO3 — CID 174924590

IUPAC(3-cyano-4-hydroxyphenyl) formate
SMILESN#Cc1cc(OC=O)ccc1O
InChIInChI=1S/C8H5NO3/c9-4-6-3-7(12-5-10)1-2-8(6)11/h1-3,5,11H
InChIKeyRPLTYDURUJIBFY-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.80
Rot. Bonds2

About (3-cyano-4-hydroxyphenyl) formate

(3-cyano-4-hydroxyphenyl) formate (PubChem CID 174924590) has the molecular formula C8H5NO3 and a molecular weight of 163.13 g/mol. Its IUPAC name is (3-cyano-4-hydroxyphenyl) formate.

Molecular Properties

Compound Name(3-cyano-4-hydroxyphenyl) formate
PubChem CID174924590
Molecular FormulaC8H5NO3
Molecular Weight163.13 g/mol
Exact Mass163.03
IUPAC Name(3-cyano-4-hydroxyphenyl) formate
SMILESN#Cc1cc(OC=O)ccc1O
InChIInChI=1S/C8H5NO3/c9-4-6-3-7(12-5-10)1-2-8(6)11/h1-3,5,11H
InChIKeyRPLTYDURUJIBFY-UHFFFAOYSA-N
XLogP0.80
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3-cyano-4-fluorophenyl) formate
CID 174507677
2-hydroxy-5-(trifluoromethoxy)benzonitrile
CID 24721643
2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile
CID 130411265
5-dodecoxy-2-hydroxybenzonitrile
CID 169297905
4-ethenoxybenzene-1,2-dicarbonitrile
CID 45091107
[3-cyano-4-(3-nitro-1,2,4-triazol-1-yl)phenyl] formate
CID 174766697
2-hydroxy-5-(4-hydroxyphenyl)benzonitrile
CID 53219834
CID 87675096
CID 87675096
5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile
CID 53219922
[4-hydroxy-3-(2-hydroxy-5-prop-2-enylphenyl)phenyl] formate
CID 174918165
[4-(4-cyano-3,5-difluorophenyl)phenyl] formate
CID 121327810
5-(2-aminoacetyl)-2-hydroxybenzonitrile
CID 84767083

Frequently Asked Questions

What is the IUPAC name of (3-cyano-4-hydroxyphenyl) formate?
The IUPAC name of (3-cyano-4-hydroxyphenyl) formate (CID 174924590) is (3-cyano-4-hydroxyphenyl) formate.
What is the SMILES notation for (3-cyano-4-hydroxyphenyl) formate?
The canonical SMILES for (3-cyano-4-hydroxyphenyl) formate is N#Cc1cc(OC=O)ccc1O.
What is the InChIKey of (3-cyano-4-hydroxyphenyl) formate?
The InChIKey is RPLTYDURUJIBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3/c9-4-6-3-7(12-5-10)1-2-8(6)11/h1-3,5,11H.
What are the key properties of (3-cyano-4-hydroxyphenyl) formate?
(3-cyano-4-hydroxyphenyl) formate has a molecular weight of 163.13 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-4-hydroxyphenyl) formate is sourced from PubChem (CID 174924590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).