naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate

C24H15ClO4 — CID 58741740

IUPACnaphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
SMILESO=C(Oc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H15ClO4/c25-20-10-5-17(6-11-20)23(26)28-21-12-8-18(9-13-21)24(27)29-22-14-7-16-3-1-2-4-19(16)15-22/h1-15H
InChIKeyLYKMQAXUYBBATO-UHFFFAOYSA-N
MW402.83 g/mol
LogP5.93
Rot. Bonds4

About naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate

naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate (PubChem CID 58741740) has the molecular formula C24H15ClO4 and a molecular weight of 402.83 g/mol. Its IUPAC name is naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate.

Molecular Properties

Compound Namenaphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
PubChem CID58741740
Molecular FormulaC24H15ClO4
Molecular Weight402.83 g/mol
Exact Mass402.07
IUPAC Namenaphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
SMILESO=C(Oc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H15ClO4/c25-20-10-5-17(6-11-20)23(26)28-21-12-8-18(9-13-21)24(27)29-22-14-7-16-3-1-2-4-19(16)15-22/h1-15H
InChIKeyLYKMQAXUYBBATO-UHFFFAOYSA-N
XLogP5.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.83
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate 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

naphthalen-2-yl 4-methoxybenzoate
CID 532400
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
(3,4-dichlorophenyl) naphthalene-2-carboxylate
CID 7959552
[2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate
CID 587367
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
(3,4-dimethylphenyl) 4-chlorobenzoate
CID 723826
CID 70139665
CID 70139665
(4-chlorophenyl) 3-chlorobenzoate
CID 23011218
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
(3,4-dimethylphenyl) 4-chlorobenzoate;methane
CID 159732966
[3-(4-chlorobenzoyl)oxy-4-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3584872
naphthalen-2-yl 4-(2-phenylethoxy)benzoate
CID 23012279

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate?
The IUPAC name of naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate (CID 58741740) is naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate.
What is the SMILES notation for naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate?
The canonical SMILES for naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate is O=C(Oc1ccc(C(=O)Oc2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate?
The InChIKey is LYKMQAXUYBBATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClO4/c25-20-10-5-17(6-11-20)23(26)28-21-12-8-18(9-13-21)24(27)29-22-14-7-16-3-1-2-4-19(16)15-22/h1-15H.
What are the key properties of naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate?
naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate has a molecular weight of 402.83 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate is sourced from PubChem (CID 58741740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).