(2-cyanophenyl)methyl 2,4-dimethoxybenzoate

C17H15NO4 — CID 9203493

IUPAC(2-cyanophenyl)methyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccccc2C#N)c(OC)c1
InChIInChI=1S/C17H15NO4/c1-20-14-7-8-15(16(9-14)21-2)17(19)22-11-13-6-4-3-5-12(13)10-18/h3-9H,11H2,1-2H3
InChIKeyNMIBKTKRLZHICD-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.93
Rot. Bonds5

About (2-cyanophenyl)methyl 2,4-dimethoxybenzoate

(2-cyanophenyl)methyl 2,4-dimethoxybenzoate (PubChem CID 9203493) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2-cyanophenyl)methyl 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl 2,4-dimethoxybenzoate
PubChem CID9203493
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(2-cyanophenyl)methyl 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccccc2C#N)c(OC)c1
InChIInChI=1S/C17H15NO4/c1-20-14-7-8-15(16(9-14)21-2)17(19)22-11-13-6-4-3-5-12(13)10-18/h3-9H,11H2,1-2H3
InChIKeyNMIBKTKRLZHICD-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-methoxybenzoate
CID 2640366
methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
CID 26676915
2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide
CID 18089225
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate
CID 2504618
(2-cyanophenyl)methyl 2,6-dimethoxybenzoate
CID 4784820
N-[(2-cyanophenyl)methylsulfonyl]-2,4-dimethoxybenzamide
CID 51119332
(2-cyanophenyl)methyl 2-amino-6-methoxybenzoate
CID 81396523
(2-cyanophenyl)methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 3379402
(2-cyanophenyl)methyl 2-amino-4-fluorobenzoate
CID 115578116
(2-cyanophenyl)methyl 2-amino-5-methylbenzoate
CID 60768737
(5-acetyl-2-methoxyphenyl)methyl 2-(2-cyanophenyl)benzoate
CID 8701894
(2-cyanophenyl)methyl 2-amino-5-chlorobenzoate
CID 60643327

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl 2,4-dimethoxybenzoate?
The IUPAC name of (2-cyanophenyl)methyl 2,4-dimethoxybenzoate (CID 9203493) is (2-cyanophenyl)methyl 2,4-dimethoxybenzoate.
What is the SMILES notation for (2-cyanophenyl)methyl 2,4-dimethoxybenzoate?
The canonical SMILES for (2-cyanophenyl)methyl 2,4-dimethoxybenzoate is COc1ccc(C(=O)OCc2ccccc2C#N)c(OC)c1.
What is the InChIKey of (2-cyanophenyl)methyl 2,4-dimethoxybenzoate?
The InChIKey is NMIBKTKRLZHICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-14-7-8-15(16(9-14)21-2)17(19)22-11-13-6-4-3-5-12(13)10-18/h3-9H,11H2,1-2H3.
What are the key properties of (2-cyanophenyl)methyl 2,4-dimethoxybenzoate?
(2-cyanophenyl)methyl 2,4-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 2,4-dimethoxybenzoate is sourced from PubChem (CID 9203493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).