methyl 5-cyano-8-methoxynaphthalene-1-carboxylate

C14H11NO3 — CID 70552913

IUPACmethyl 5-cyano-8-methoxynaphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2c(C#N)ccc(OC)c12
InChIInChI=1S/C14H11NO3/c1-17-12-7-6-9(8-15)10-4-3-5-11(13(10)12)14(16)18-2/h3-7H,1-2H3
InChIKeyCIXYTKBKDCTKOQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.51
Rot. Bonds2

About methyl 5-cyano-8-methoxynaphthalene-1-carboxylate

methyl 5-cyano-8-methoxynaphthalene-1-carboxylate (PubChem CID 70552913) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 5-cyano-8-methoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-8-methoxynaphthalene-1-carboxylate
PubChem CID70552913
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Namemethyl 5-cyano-8-methoxynaphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2c(C#N)ccc(OC)c12
InChIInChI=1S/C14H11NO3/c1-17-12-7-6-9(8-15)10-4-3-5-11(13(10)12)14(16)18-2/h3-7H,1-2H3
InChIKeyCIXYTKBKDCTKOQ-UHFFFAOYSA-N
XLogP2.51
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-cyano-8-methoxynaphthalene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,8-dimethoxynaphthalene-1-carbonitrile
CID 86178787
methyl 3-cyano-2-propan-2-yloxybenzoate
CID 134655755
methyl 4-cyano-5-iodo-2-methoxybenzoate
CID 131602353
methyl 3-cyano-2-fluorobenzoate
CID 91882344
methyl 3-cyano-2-propoxybenzoate
CID 70107725
methyl 2-cyano-3,4-dimethoxybenzoate
CID 134647076
methyl 2-amino-3-cyano-6-methoxybenzoate
CID 178130883
methyl 3-methoxy-2-methylbenzoate
CID 12527049
methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate
CID 10760652
methyl 5-(chloromethyl)-4-cyano-2-methoxybenzoate
CID 131373859
methyl 5-cyano-4-ethyl-2-methoxybenzoate
CID 134613373
methyl 4-cyano-3-iodo-2-methylbenzoate
CID 131168135

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-8-methoxynaphthalene-1-carboxylate?
The IUPAC name of methyl 5-cyano-8-methoxynaphthalene-1-carboxylate (CID 70552913) is methyl 5-cyano-8-methoxynaphthalene-1-carboxylate.
What is the SMILES notation for methyl 5-cyano-8-methoxynaphthalene-1-carboxylate?
The canonical SMILES for methyl 5-cyano-8-methoxynaphthalene-1-carboxylate is COC(=O)c1cccc2c(C#N)ccc(OC)c12.
What is the InChIKey of methyl 5-cyano-8-methoxynaphthalene-1-carboxylate?
The InChIKey is CIXYTKBKDCTKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-17-12-7-6-9(8-15)10-4-3-5-11(13(10)12)14(16)18-2/h3-7H,1-2H3.
What are the key properties of methyl 5-cyano-8-methoxynaphthalene-1-carboxylate?
methyl 5-cyano-8-methoxynaphthalene-1-carboxylate has a molecular weight of 241.25 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-8-methoxynaphthalene-1-carboxylate is sourced from PubChem (CID 70552913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).