[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate

C22H20O3 — CID 2450228

IUPAC[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate
SMILESCc1cc(C)c(C(=O)COC(=O)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C22H20O3/c1-14-11-15(2)21(16(3)12-14)20(23)13-25-22(24)19-10-6-8-17-7-4-5-9-18(17)19/h4-12H,13H2,1-3H3
InChIKeyMAUPTWOWXZZUHQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.80
Rot. Bonds4

About [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate

[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate (PubChem CID 2450228) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate
PubChem CID2450228
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate
SMILESCc1cc(C)c(C(=O)COC(=O)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C22H20O3/c1-14-11-15(2)21(16(3)12-14)20(23)13-25-22(24)19-10-6-8-17-7-4-5-9-18(17)19/h4-12H,13H2,1-3H3
InChIKeyMAUPTWOWXZZUHQ-UHFFFAOYSA-N
XLogP4.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dimethylphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 7785268
2-methylprop-2-enyl naphthalene-1-carboxylate
CID 22594823
ethyl 2,4-dimethyl-5-[2-(naphthalene-1-carbonyloxy)acetyl]-1H-pyrrole-3-carboxylate
CID 5145291
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 40576053
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-methyl-5-methylsulfonylbenzoate
CID 42981032
[2-(4-acetyloxyphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 3298622
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-nitrobenzoate
CID 7768454
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate
CID 2445149
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656703
(2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate
CID 1218310
ethyl chrysene-1-carboxylate
CID 86251232
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate (CID 2450228) is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate is Cc1cc(C)c(C(=O)COC(=O)c2cccc3ccccc23)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate?
The InChIKey is MAUPTWOWXZZUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-14-11-15(2)21(16(3)12-14)20(23)13-25-22(24)19-10-6-8-17-7-4-5-9-18(17)19/h4-12H,13H2,1-3H3.
What are the key properties of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate?
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 2450228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).