[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate

C21H18O5 — CID 8596344

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
SMILESCOc1ccccc1C(=O)COC(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C21H18O5/c1-24-19-10-6-5-9-17(19)18(22)13-26-21(23)16-11-12-20(25-2)15-8-4-3-7-14(15)16/h3-12H,13H2,1-2H3
InChIKeyXBGYMWOJLFRLKO-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.90
Rot. Bonds6

About [2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate

[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate (PubChem CID 8596344) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
PubChem CID8596344
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
SMILESCOc1ccccc1C(=O)COC(=O)c1ccc(OC)c2ccccc12
InChIInChI=1S/C21H18O5/c1-24-19-10-6-5-9-17(19)18(22)13-26-21(23)16-11-12-20(25-2)15-8-4-3-7-14(15)16/h3-12H,13H2,1-2H3
InChIKeyXBGYMWOJLFRLKO-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-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597334
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
[2-(2-methoxyphenyl)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785126
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596815
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596447
[2-(2-methoxyphenyl)-2-oxoethyl] 4-bromobenzoate
CID 2357062
[3-(2,3-dimethoxybenzoyl)oxy-2-oxopropyl] 2,3-dimethoxybenzoate
CID 3910896
[2-(2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 18155883
[2-(2-methoxyphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867502
2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid
CID 61328364

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate (CID 8596344) is [2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate is COc1ccccc1C(=O)COC(=O)c1ccc(OC)c2ccccc12.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
The InChIKey is XBGYMWOJLFRLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c1-24-19-10-6-5-9-17(19)18(22)13-26-21(23)16-11-12-20(25-2)15-8-4-3-7-14(15)16/h3-12H,13H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate?
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-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-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate is sourced from PubChem (CID 8596344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).