10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid

C17H22O6 — CID 88839853

IUPAC10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid
SMILESO=C(O)CCCCCCCCC(=O)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H22O6/c18-14-11-9-13(10-12-14)17(22)23-16(21)8-6-4-2-1-3-5-7-15(19)20/h9-12,18H,1-8H2,(H,19,20)
InChIKeyIGRCQNMDRPLUGQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.28
Rot. Bonds10

About 10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid

10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid (PubChem CID 88839853) has the molecular formula C17H22O6 and a molecular weight of 322.36 g/mol. Its IUPAC name is 10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid.

Molecular Properties

Compound Name10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid
PubChem CID88839853
Molecular FormulaC17H22O6
Molecular Weight322.36 g/mol
Exact Mass322.14
IUPAC Name10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid
SMILESO=C(O)CCCCCCCCC(=O)OC(=O)c1ccc(O)cc1
InChIInChI=1S/C17H22O6/c18-14-11-9-13(10-12-14)17(22)23-16(21)8-6-4-2-1-3-5-7-15(19)20/h9-12,18H,1-8H2,(H,19,20)
InChIKeyIGRCQNMDRPLUGQ-UHFFFAOYSA-N
XLogP3.28
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 10-(4-hydroxybenzoyl)oxy-10-oxodecanoic 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

8-[4-(7-carboxyheptanoyloxycarbonyl)benzoyl]oxy-8-oxooctanoic acid
CID 175520890
undec-10-enoyl 4-hydroxybenzoate
CID 173176022
dibenzoyl octanedioate
CID 175475842
6-[4-(1,4-dihydroxybutoxycarbonyl)benzoyl]oxy-6-oxohexanoic acid
CID 174534732
octanoyl benzoate
CID 15556056
hexadecanoyl benzoate
CID 57040691
8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
CID 87223442
30-[28-(29-carboxynonacosanoyloxy)-28-oxooctacosanoyl]oxy-30-oxotriacontanoic acid
CID 57255459
6-[8-(5-carboxypentanoyloxy)-8-oxooctanoyl]oxy-6-oxohexanoic acid
CID 87893152
8-(5-carboxypentanoyloxy)-8-oxooctanoic acid
CID 175284815
6-(3-methoxycarbonylbenzoyl)oxy-6-oxohexanoic acid
CID 174407669
butan-2-yl 4-hydroxybenzoate;octadecanoic acid
CID 160512702

Frequently Asked Questions

What is the IUPAC name of 10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid?
The IUPAC name of 10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid (CID 88839853) is 10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid.
What is the SMILES notation for 10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid?
The canonical SMILES for 10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid is O=C(O)CCCCCCCCC(=O)OC(=O)c1ccc(O)cc1.
What is the InChIKey of 10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid?
The InChIKey is IGRCQNMDRPLUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O6/c18-14-11-9-13(10-12-14)17(22)23-16(21)8-6-4-2-1-3-5-7-15(19)20/h9-12,18H,1-8H2,(H,19,20).
What are the key properties of 10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid?
10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid has a molecular weight of 322.36 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-hydroxybenzoyl)oxy-10-oxodecanoic acid is sourced from PubChem (CID 88839853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).