[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate

C21H18O5 — CID 7376931

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C21H18O5/c1-24-17-9-7-14(8-10-17)19(22)13-26-21(23)18-11-15-5-3-4-6-16(15)12-20(18)25-2/h3-12H,13H2,1-2H3
InChIKeyAAOBELZKSQTFQL-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.90
Rot. Bonds6

About [2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate

[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate (PubChem CID 7376931) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
PubChem CID7376931
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C21H18O5/c1-24-17-9-7-14(8-10-17)19(22)13-26-21(23)18-11-15-5-3-4-6-16(15)12-20(18)25-2/h3-12H,13H2,1-2H3
InChIKeyAAOBELZKSQTFQL-UHFFFAOYSA-N
XLogP3.90
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7679231
(4-methoxyphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 16578220
[2-(4-methoxyphenyl)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 8014248
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 2587537
[2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate
CID 7786608
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637
[2-(4-ethoxyphenyl)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 8023897
(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate
CID 7291387
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 2510229
[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2358793
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-methoxynaphthalene-2-carboxylate
CID 2646135
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31409809

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate (CID 7376931) is [2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate is COc1ccc(C(=O)COC(=O)c2cc3ccccc3cc2OC)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
The InChIKey is AAOBELZKSQTFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c1-24-17-9-7-14(8-10-17)19(22)13-26-21(23)18-11-15-5-3-4-6-16(15)12-20(18)25-2/h3-12H,13H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate?
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 7376931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).