10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate

C24H30O6 — CID 3896266

IUPAC10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
SMILESO=C(OCCCCCCCCCCOC(=O)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H30O6/c25-21-13-9-19(10-14-21)23(27)29-17-7-5-3-1-2-4-6-8-18-30-24(28)20-11-15-22(26)16-12-20/h9-16,25-26H,1-8,17-18H2
InChIKeyAAIYZNZVJSEINM-UHFFFAOYSA-N
MW414.50 g/mol
LogP5.23
Rot. Bonds13

About 10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate

10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate (PubChem CID 3896266) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is 10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate.

Molecular Properties

Compound Name10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
PubChem CID3896266
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
SMILESO=C(OCCCCCCCCCCOC(=O)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H30O6/c25-21-13-9-19(10-14-21)23(27)29-17-7-5-3-1-2-4-6-8-18-30-24(28)20-11-15-22(26)16-12-20/h9-16,25-26H,1-8,17-18H2
InChIKeyAAIYZNZVJSEINM-UHFFFAOYSA-N
XLogP5.23
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
pentadecyl 4-hydroxybenzoate;tetradecyl 4-hydroxybenzoate
CID 161210354
butane;docosyl 4-hydroxybenzoate
CID 175271638
4-(4-hexoxybutoxy)butyl 4-hydroxybenzoate
CID 54410325
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
[(E)-octadec-6-enyl] 4-hydroxybenzoate
CID 101322355
[(E)-heptadec-10-enyl] 4-hydroxybenzoate
CID 101322343
5-(diheptylamino)pentyl 4-hydroxybenzoate
CID 139714343
5-(dioctylamino)pentyl 4-hydroxybenzoate
CID 139714334
2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631965
2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631984

Frequently Asked Questions

What is the IUPAC name of 10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate?
The IUPAC name of 10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate (CID 3896266) is 10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate.
What is the SMILES notation for 10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate?
The canonical SMILES for 10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate is O=C(OCCCCCCCCCCOC(=O)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate?
The InChIKey is AAIYZNZVJSEINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c25-21-13-9-19(10-14-21)23(27)29-17-7-5-3-1-2-4-6-8-18-30-24(28)20-11-15-22(26)16-12-20/h9-16,25-26H,1-8,17-18H2.
What are the key properties of 10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate?
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate has a molecular weight of 414.50 g/mol, XLogP of 5.23, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate is sourced from PubChem (CID 3896266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).