[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate

C28H22O5 — CID 23960508

IUPAC[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCOc1ccc2cc(C(=O)COC(=O)c3ccccc3C(=O)c3ccc(C)cc3)ccc2c1
InChIInChI=1S/C28H22O5/c1-18-7-9-19(10-8-18)27(30)24-5-3-4-6-25(24)28(31)33-17-26(29)22-12-11-21-16-23(32-2)14-13-20(21)15-22/h3-16H,17H2,1-2H3
InChIKeyLAZZDOPISQLELG-UHFFFAOYSA-N
MW438.48 g/mol
LogP5.43
Rot. Bonds7

About [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate

[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (PubChem CID 23960508) has the molecular formula C28H22O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
PubChem CID23960508
Molecular FormulaC28H22O5
Molecular Weight438.48 g/mol
Exact Mass438.15
IUPAC Name[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCOc1ccc2cc(C(=O)COC(=O)c3ccccc3C(=O)c3ccc(C)cc3)ccc2c1
InChIInChI=1S/C28H22O5/c1-18-7-9-19(10-8-18)27(30)24-5-3-4-6-25(24)28(31)33-17-26(29)22-12-11-21-16-23(32-2)14-13-20(21)15-22/h3-16H,17H2,1-2H3
InChIKeyLAZZDOPISQLELG-UHFFFAOYSA-N
XLogP5.43
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605537
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate
CID 23988356
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
CID 2370634
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23990915
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
[2-(4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7376931
(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate
CID 7291387
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 8012815
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 3591091
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The IUPAC name of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (CID 23960508) is [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is COc1ccc2cc(C(=O)COC(=O)c3ccccc3C(=O)c3ccc(C)cc3)ccc2c1.
What is the InChIKey of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The InChIKey is LAZZDOPISQLELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O5/c1-18-7-9-19(10-8-18)27(30)24-5-3-4-6-25(24)28(31)33-17-26(29)22-12-11-21-16-23(32-2)14-13-20(21)15-22/h3-16H,17H2,1-2H3.
What are the key properties of [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate has a molecular weight of 438.48 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 23960508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).