[2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate

C26H16Cl2O5 — CID 587367

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2cc(OC(=O)c3ccc(Cl)cc3)ccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H16Cl2O5/c27-21-8-3-16(4-9-21)24(29)15-32-25(30)20-2-1-19-14-23(12-7-18(19)13-20)33-26(31)17-5-10-22(28)11-6-17/h1-14H,15H2
InChIKeyAQVKZWZOCPVKNO-UHFFFAOYSA-N
MW479.32 g/mol
LogP6.41
Rot. Bonds6

About [2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate

[2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate (PubChem CID 587367) has the molecular formula C26H16Cl2O5 and a molecular weight of 479.32 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate
PubChem CID587367
Molecular FormulaC26H16Cl2O5
Molecular Weight479.32 g/mol
Exact Mass478.04
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1ccc2cc(OC(=O)c3ccc(Cl)cc3)ccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H16Cl2O5/c27-21-8-3-16(4-9-21)24(29)15-32-25(30)20-2-1-19-14-23(12-7-18(19)13-20)33-26(31)17-5-10-22(28)11-6-17/h1-14H,15H2
InChIKeyAQVKZWZOCPVKNO-UHFFFAOYSA-N
XLogP6.41
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.32
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-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-[2-(4-chlorobenzoyl)oxyacetyl]phenyl] 4-nitrobenzoate
CID 19645392
naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
CID 58741740
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 1218417
[2-(4-chlorophenyl)-2-oxoethyl] 4-cyanobenzoate
CID 4576345
[2-(4-chlorophenyl)-2-oxoethyl] 4-(1,3-dihydroisoindol-2-yl)benzoate
CID 4110956
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 3-bromobenzoate
CID 1218403
[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 4-chloro-3-nitrobenzoate
CID 1298893
4-[6-(4-carboxyphenoxy)carbonylnaphthalen-2-yl]oxycarbonylbenzoic acid;ethane-1,2-diol
CID 68923390
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
CID 4213919
(3,4-dimethylphenyl) 4-chlorobenzoate
CID 723826

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate (CID 587367) is [2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate is O=C(COC(=O)c1ccc2cc(OC(=O)c3ccc(Cl)cc3)ccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate?
The InChIKey is AQVKZWZOCPVKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2O5/c27-21-8-3-16(4-9-21)24(29)15-32-25(30)20-2-1-19-14-23(12-7-18(19)13-20)33-26(31)17-5-10-22(28)11-6-17/h1-14H,15H2.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate?
[2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate has a molecular weight of 479.32 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate is sourced from PubChem (CID 587367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).