2,3,4,5-tetramethoxybenzonitrile

C11H13NO4 — CID 71368082

IUPAC2,3,4,5-tetramethoxybenzonitrile
SMILESCOc1cc(C#N)c(OC)c(OC)c1OC
InChIInChI=1S/C11H13NO4/c1-13-8-5-7(6-12)9(14-2)11(16-4)10(8)15-3/h5H,1-4H3
InChIKeyYKIDBYBROXWWKZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.59
Rot. Bonds4

About 2,3,4,5-tetramethoxybenzonitrile

2,3,4,5-tetramethoxybenzonitrile (PubChem CID 71368082) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2,3,4,5-tetramethoxybenzonitrile.

Molecular Properties

Compound Name2,3,4,5-tetramethoxybenzonitrile
PubChem CID71368082
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2,3,4,5-tetramethoxybenzonitrile
SMILESCOc1cc(C#N)c(OC)c(OC)c1OC
InChIInChI=1S/C11H13NO4/c1-13-8-5-7(6-12)9(14-2)11(16-4)10(8)15-3/h5H,1-4H3
InChIKeyYKIDBYBROXWWKZ-UHFFFAOYSA-N
XLogP1.59
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,3,6,7-pentamethoxyphenanthrene-9-carbonitrile
CID 11100286
3,4,5-trimethoxybenzene-1,2-dicarbonitrile
CID 162965127
2,5-dimethoxy-3,4-dimethylbenzonitrile
CID 117282326
3-chloro-2,5-dimethoxy-4-methylbenzonitrile
CID 117302242
5-(cyanomethyl)-2,3-dimethoxybenzonitrile
CID 117290768
5-(aminomethyl)-2,3-dimethoxybenzonitrile
CID 117282956
3-bromo-2-hydroxy-4,5-dimethoxybenzonitrile
CID 117398262
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzonitrile
CID 117319407
5-(1-hydroxyethyl)-2,3-dimethoxybenzonitrile
CID 117295608
2-methoxynaphthalene-1,4-dicarbonitrile
CID 169050362
5-chloro-2,3-dimethoxy-4-methylbenzonitrile
CID 117302233

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethoxybenzonitrile?
The IUPAC name of 2,3,4,5-tetramethoxybenzonitrile (CID 71368082) is 2,3,4,5-tetramethoxybenzonitrile.
What is the SMILES notation for 2,3,4,5-tetramethoxybenzonitrile?
The canonical SMILES for 2,3,4,5-tetramethoxybenzonitrile is COc1cc(C#N)c(OC)c(OC)c1OC.
What is the InChIKey of 2,3,4,5-tetramethoxybenzonitrile?
The InChIKey is YKIDBYBROXWWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-13-8-5-7(6-12)9(14-2)11(16-4)10(8)15-3/h5H,1-4H3.
What are the key properties of 2,3,4,5-tetramethoxybenzonitrile?
2,3,4,5-tetramethoxybenzonitrile has a molecular weight of 223.23 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethoxybenzonitrile is sourced from PubChem (CID 71368082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).