methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate

C17H15NO4 — CID 26676915

IUPACmethyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCc1ccccc1C#N
InChIInChI=1S/C17H15NO4/c1-20-14-7-8-15(17(19)21-2)16(9-14)22-11-13-6-4-3-5-12(13)10-18/h3-9H,11H2,1-2H3
InChIKeyHMIQSWHOKWWQQF-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.93
Rot. Bonds5

About methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate

methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate (PubChem CID 26676915) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
PubChem CID26676915
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namemethyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OCc1ccccc1C#N
InChIInChI=1S/C17H15NO4/c1-20-14-7-8-15(17(19)21-2)16(9-14)22-11-13-6-4-3-5-12(13)10-18/h3-9H,11H2,1-2H3
InChIKeyHMIQSWHOKWWQQF-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate (CID 26676915) is methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OCc1ccccc1C#N.
What is the InChIKey of methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate?
The InChIKey is HMIQSWHOKWWQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-14-7-8-15(17(19)21-2)16(9-14)22-11-13-6-4-3-5-12(13)10-18/h3-9H,11H2,1-2H3.
What are the key properties of methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate?
methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate 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 methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate is sourced from PubChem (CID 26676915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).