2-(3-propoxybenzoyl)oxybenzoic acid

C17H16O5 — CID 54854800

IUPAC2-(3-propoxybenzoyl)oxybenzoic acid
SMILESCCCOc1cccc(C(=O)Oc2ccccc2C(=O)O)c1
InChIInChI=1S/C17H16O5/c1-2-10-21-13-7-5-6-12(11-13)17(20)22-15-9-4-3-8-14(15)16(18)19/h3-9,11H,2,10H2,1H3,(H,18,19)
InChIKeyQMWVGJXSICUYHP-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.39
Rot. Bonds6

About 2-(3-propoxybenzoyl)oxybenzoic acid

2-(3-propoxybenzoyl)oxybenzoic acid (PubChem CID 54854800) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(3-propoxybenzoyl)oxybenzoic acid.

Molecular Properties

Compound Name2-(3-propoxybenzoyl)oxybenzoic acid
PubChem CID54854800
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name2-(3-propoxybenzoyl)oxybenzoic acid
SMILESCCCOc1cccc(C(=O)Oc2ccccc2C(=O)O)c1
InChIInChI=1S/C17H16O5/c1-2-10-21-13-7-5-6-12(11-13)17(20)22-15-9-4-3-8-14(15)16(18)19/h3-9,11H,2,10H2,1H3,(H,18,19)
InChIKeyQMWVGJXSICUYHP-UHFFFAOYSA-N
XLogP3.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-propoxybenzoyl)oxybenzoic acid 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-(2-propoxybenzoyl)oxybenzoic acid
CID 54854771
(2-methylphenyl) 3-butoxybenzoate
CID 23012315
[3-(2-phenoxyethoxycarbonyl)phenyl] 3-propoxybenzoate
CID 17161878
5-bromo-2-[3-(2-ethoxyethoxy)benzoyl]oxybenzoic acid
CID 54854445
2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17138631
5-chloro-2-(3-ethoxybenzoyl)oxybenzoic acid
CID 54855059
acetyl 3-propoxybenzoate
CID 54339605
methyl 3-bromo-4-(3-propoxybenzoyl)oxybenzoate
CID 23012545
2-(3-propoxyanilino)benzoic acid
CID 154130973
ethyl 2-(4-propoxybenzoyl)oxybenzoate
CID 23011682
(2-propoxyphenyl) 3-cyanobenzoate
CID 8697756
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxybenzoyl)oxybenzoic acid?
The IUPAC name of 2-(3-propoxybenzoyl)oxybenzoic acid (CID 54854800) is 2-(3-propoxybenzoyl)oxybenzoic acid.
What is the SMILES notation for 2-(3-propoxybenzoyl)oxybenzoic acid?
The canonical SMILES for 2-(3-propoxybenzoyl)oxybenzoic acid is CCCOc1cccc(C(=O)Oc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-(3-propoxybenzoyl)oxybenzoic acid?
The InChIKey is QMWVGJXSICUYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-2-10-21-13-7-5-6-12(11-13)17(20)22-15-9-4-3-8-14(15)16(18)19/h3-9,11H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-(3-propoxybenzoyl)oxybenzoic acid?
2-(3-propoxybenzoyl)oxybenzoic acid has a molecular weight of 300.31 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxybenzoyl)oxybenzoic acid is sourced from PubChem (CID 54854800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).