propyl 3-(3-chlorobenzoyl)oxybenzoate

C17H15ClO4 — CID 17169663

IUPACpropyl 3-(3-chlorobenzoyl)oxybenzoate
SMILESCCCOC(=O)c1cccc(OC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H15ClO4/c1-2-9-21-16(19)13-6-4-8-15(11-13)22-17(20)12-5-3-7-14(18)10-12/h3-8,10-11H,2,9H2,1H3
InChIKeyYEIBKBYBYIXDBU-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.13
Rot. Bonds5

About propyl 3-(3-chlorobenzoyl)oxybenzoate

propyl 3-(3-chlorobenzoyl)oxybenzoate (PubChem CID 17169663) has the molecular formula C17H15ClO4 and a molecular weight of 318.76 g/mol. Its IUPAC name is propyl 3-(3-chlorobenzoyl)oxybenzoate.

Molecular Properties

Compound Namepropyl 3-(3-chlorobenzoyl)oxybenzoate
PubChem CID17169663
Molecular FormulaC17H15ClO4
Molecular Weight318.76 g/mol
Exact Mass318.07
IUPAC Namepropyl 3-(3-chlorobenzoyl)oxybenzoate
SMILESCCCOC(=O)c1cccc(OC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H15ClO4/c1-2-9-21-16(19)13-6-4-8-15(11-13)22-17(20)12-5-3-7-14(18)10-12/h3-8,10-11H,2,9H2,1H3
InChIKeyYEIBKBYBYIXDBU-UHFFFAOYSA-N
XLogP4.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propyl 3-(3-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

(3-propoxycarbonylphenyl) 3-propan-2-yloxybenzoate
CID 17169726
(3-propoxycarbonylphenyl) 3-ethoxybenzoate
CID 17169687
(3-propoxycarbonylphenyl) 2-chlorobenzoate
CID 17169617
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
2-propoxyethyl 3-chlorobenzoate
CID 71145499
propyl 3-(4-butoxybenzoyl)oxybenzoate
CID 17169670
propyl 3-[4-(2-methoxyethoxy)benzoyl]oxybenzoate
CID 17169702
[3-(2-phenoxyethoxycarbonyl)phenyl] 3-propoxybenzoate
CID 17161878
octyl 3-chlorobenzoate
CID 527808
(3-chlorophenyl) propyl carbonate
CID 91713194
propan-2-yl 3-(3-chlorobenzoyl)oxybenzoate
CID 17162400
(4-ethylphenyl) 3-chlorobenzoate
CID 7314075

Frequently Asked Questions

What is the IUPAC name of propyl 3-(3-chlorobenzoyl)oxybenzoate?
The IUPAC name of propyl 3-(3-chlorobenzoyl)oxybenzoate (CID 17169663) is propyl 3-(3-chlorobenzoyl)oxybenzoate.
What is the SMILES notation for propyl 3-(3-chlorobenzoyl)oxybenzoate?
The canonical SMILES for propyl 3-(3-chlorobenzoyl)oxybenzoate is CCCOC(=O)c1cccc(OC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of propyl 3-(3-chlorobenzoyl)oxybenzoate?
The InChIKey is YEIBKBYBYIXDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO4/c1-2-9-21-16(19)13-6-4-8-15(11-13)22-17(20)12-5-3-7-14(18)10-12/h3-8,10-11H,2,9H2,1H3.
What are the key properties of propyl 3-(3-chlorobenzoyl)oxybenzoate?
propyl 3-(3-chlorobenzoyl)oxybenzoate has a molecular weight of 318.76 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(3-chlorobenzoyl)oxybenzoate is sourced from PubChem (CID 17169663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).