(2-cyanophenyl)methyl 2,6-dimethoxybenzoate

C17H15NO4 — CID 4784820

IUPAC(2-cyanophenyl)methyl 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCc1ccccc1C#N
InChIInChI=1S/C17H15NO4/c1-20-14-8-5-9-15(21-2)16(14)17(19)22-11-13-7-4-3-6-12(13)10-18/h3-9H,11H2,1-2H3
InChIKeyOAZHSZCVFDXBCC-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.93
Rot. Bonds5

About (2-cyanophenyl)methyl 2,6-dimethoxybenzoate

(2-cyanophenyl)methyl 2,6-dimethoxybenzoate (PubChem CID 4784820) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2-cyanophenyl)methyl 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl 2,6-dimethoxybenzoate
PubChem CID4784820
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(2-cyanophenyl)methyl 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCc1ccccc1C#N
InChIInChI=1S/C17H15NO4/c1-20-14-8-5-9-15(21-2)16(14)17(19)22-11-13-7-4-3-6-12(13)10-18/h3-9H,11H2,1-2H3
InChIKeyOAZHSZCVFDXBCC-UHFFFAOYSA-N
XLogP2.93
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-cyanophenyl)methyl 2-amino-6-methoxybenzoate
CID 81396523
(2-cyanophenyl)methyl 2-methoxybenzoate
CID 2640366
(2-cyanophenyl)methyl 2,4-dimethoxybenzoate
CID 9203493
(2-cyanophenyl)methyl carbamate
CID 66644204
(2-cyanophenyl)methyl 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 3897545
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
CID 46735271
(2-cyanophenyl)methyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 27917519
(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616446
(2-cyanophenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate
CID 7531551
(2-cyanophenyl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2629944
(2-cyanophenyl)methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 3379402
(2-cyanophenyl)methyl 2-amino-5-methylbenzoate
CID 60768737

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl 2,6-dimethoxybenzoate?
The IUPAC name of (2-cyanophenyl)methyl 2,6-dimethoxybenzoate (CID 4784820) is (2-cyanophenyl)methyl 2,6-dimethoxybenzoate.
What is the SMILES notation for (2-cyanophenyl)methyl 2,6-dimethoxybenzoate?
The canonical SMILES for (2-cyanophenyl)methyl 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OCc1ccccc1C#N.
What is the InChIKey of (2-cyanophenyl)methyl 2,6-dimethoxybenzoate?
The InChIKey is OAZHSZCVFDXBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-14-8-5-9-15(21-2)16(14)17(19)22-11-13-7-4-3-6-12(13)10-18/h3-9H,11H2,1-2H3.
What are the key properties of (2-cyanophenyl)methyl 2,6-dimethoxybenzoate?
(2-cyanophenyl)methyl 2,6-dimethoxybenzoate has a molecular weight of 297.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl 2,6-dimethoxybenzoate is sourced from PubChem (CID 4784820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).