[3-[cyano(phenyl)methoxy]phenoxy] formate

C15H11NO4 — CID 174311364

IUPAC[3-[cyano(phenyl)methoxy]phenoxy] formate
SMILESN#CC(Oc1cccc(OOC=O)c1)c1ccccc1
InChIInChI=1S/C15H11NO4/c16-10-15(12-5-2-1-3-6-12)19-13-7-4-8-14(9-13)20-18-11-17/h1-9,11,15H
InChIKeyFYMWJZJJKCMVBN-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.80
Rot. Bonds6

About [3-[cyano(phenyl)methoxy]phenoxy] formate

[3-[cyano(phenyl)methoxy]phenoxy] formate (PubChem CID 174311364) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is [3-[cyano(phenyl)methoxy]phenoxy] formate.

Molecular Properties

Compound Name[3-[cyano(phenyl)methoxy]phenoxy] formate
PubChem CID174311364
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name[3-[cyano(phenyl)methoxy]phenoxy] formate
SMILESN#CC(Oc1cccc(OOC=O)c1)c1ccccc1
InChIInChI=1S/C15H11NO4/c16-10-15(12-5-2-1-3-6-12)19-13-7-4-8-14(9-13)20-18-11-17/h1-9,11,15H
InChIKeyFYMWJZJJKCMVBN-UHFFFAOYSA-N
XLogP2.80
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [3-[cyano(phenyl)methoxy]phenoxy] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[cyano(phenyl)methoxy]phenyl] 2-methylbutaneperoxoate
CID 174319030
(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
CID 174733563
2-[cyano(phenyl)methoxy]-2-phenoxyacetic acid
CID 70080911
2-[(5-bromo-3-pyridinyl)oxy]-2-phenylacetonitrile
CID 129319703
(2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile
CID 174633884
trans-[(R)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 57258683
2-(3-methoxyphenyl)-3-oxopropanenitrile
CID 10352196
[(R)-cyano(phenyl)methyl] benzoate
CID 12617356
3-[(S)-cyano-(3-phenoxyphenyl)methoxy]carbonyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 102333830
[cyano-(3-phenoxyphenyl)methyl] ethyl carbonate
CID 13307555
[(R)-cyano-(3-phenoxyphenyl)methyl] butanoate
CID 11266404
(2R)-2-(3-phenoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 10935387

Frequently Asked Questions

What is the IUPAC name of [3-[cyano(phenyl)methoxy]phenoxy] formate?
The IUPAC name of [3-[cyano(phenyl)methoxy]phenoxy] formate (CID 174311364) is [3-[cyano(phenyl)methoxy]phenoxy] formate.
What is the SMILES notation for [3-[cyano(phenyl)methoxy]phenoxy] formate?
The canonical SMILES for [3-[cyano(phenyl)methoxy]phenoxy] formate is N#CC(Oc1cccc(OOC=O)c1)c1ccccc1.
What is the InChIKey of [3-[cyano(phenyl)methoxy]phenoxy] formate?
The InChIKey is FYMWJZJJKCMVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c16-10-15(12-5-2-1-3-6-12)19-13-7-4-8-14(9-13)20-18-11-17/h1-9,11,15H.
What are the key properties of [3-[cyano(phenyl)methoxy]phenoxy] formate?
[3-[cyano(phenyl)methoxy]phenoxy] formate has a molecular weight of 269.26 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyano(phenyl)methoxy]phenoxy] formate is sourced from PubChem (CID 174311364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).