[2-(cyanomethoxy)-4-methylphenyl] formate

C10H9NO3 — CID 174830177

IUPAC[2-(cyanomethoxy)-4-methylphenyl] formate
SMILESCc1ccc(OC=O)c(OCC#N)c1
InChIInChI=1S/C10H9NO3/c1-8-2-3-9(14-7-12)10(6-8)13-5-4-11/h2-3,6-7H,5H2,1H3
InChIKeyYRZNHZHSTXTDDA-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.43
Rot. Bonds4

About [2-(cyanomethoxy)-4-methylphenyl] formate

[2-(cyanomethoxy)-4-methylphenyl] formate (PubChem CID 174830177) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is [2-(cyanomethoxy)-4-methylphenyl] formate.

Molecular Properties

Compound Name[2-(cyanomethoxy)-4-methylphenyl] formate
PubChem CID174830177
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name[2-(cyanomethoxy)-4-methylphenyl] formate
SMILESCc1ccc(OC=O)c(OCC#N)c1
InChIInChI=1S/C10H9NO3/c1-8-2-3-9(14-7-12)10(6-8)13-5-4-11/h2-3,6-7H,5H2,1H3
InChIKeyYRZNHZHSTXTDDA-UHFFFAOYSA-N
XLogP1.43
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)-5-methylphenoxy]acetonitrile
CID 82503453
2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile
CID 63323548
2-[2-(2-aminopropyl)-4-methylphenoxy]acetonitrile
CID 63326461
(2-hydroxy-4-methylphenyl) formate
CID 58909986
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]acetonitrile
CID 63326558
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
2-(4-tert-butyl-2-formylphenoxy)acetonitrile
CID 151195831
2-[2-[(4-chlorophenyl)methylideneamino]-5-methylphenoxy]acetonitrile
CID 58437584
2-(4-bromo-2-formylphenoxy)acetonitrile
CID 3679753
(2-methoxy-5-methylphenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate
CID 8949341
2-[2-[(E)-3-(2-methoxy-4-methylphenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile
CID 24561849

Frequently Asked Questions

What is the IUPAC name of [2-(cyanomethoxy)-4-methylphenyl] formate?
The IUPAC name of [2-(cyanomethoxy)-4-methylphenyl] formate (CID 174830177) is [2-(cyanomethoxy)-4-methylphenyl] formate.
What is the SMILES notation for [2-(cyanomethoxy)-4-methylphenyl] formate?
The canonical SMILES for [2-(cyanomethoxy)-4-methylphenyl] formate is Cc1ccc(OC=O)c(OCC#N)c1.
What is the InChIKey of [2-(cyanomethoxy)-4-methylphenyl] formate?
The InChIKey is YRZNHZHSTXTDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-8-2-3-9(14-7-12)10(6-8)13-5-4-11/h2-3,6-7H,5H2,1H3.
What are the key properties of [2-(cyanomethoxy)-4-methylphenyl] formate?
[2-(cyanomethoxy)-4-methylphenyl] formate has a molecular weight of 191.19 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyanomethoxy)-4-methylphenyl] formate is sourced from PubChem (CID 174830177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).