6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate

C20H22O6 — CID 19881496

IUPAC6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
SMILESO=C(OCCCCCCOC(=O)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H22O6/c21-17-9-5-15(6-10-17)19(23)25-13-3-1-2-4-14-26-20(24)16-7-11-18(22)12-8-16/h5-12,21-22H,1-4,13-14H2
InChIKeyOMUYYXJJSURLPK-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.67
Rot. Bonds9

About 6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate

6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate (PubChem CID 19881496) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is 6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate.

Molecular Properties

Compound Name6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
PubChem CID19881496
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
SMILESO=C(OCCCCCCOC(=O)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H22O6/c21-17-9-5-15(6-10-17)19(23)25-13-3-1-2-4-14-26-20(24)16-7-11-18(22)12-8-16/h5-12,21-22H,1-4,13-14H2
InChIKeyOMUYYXJJSURLPK-UHFFFAOYSA-N
XLogP3.67
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.67
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

10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
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 6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate?
The IUPAC name of 6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate (CID 19881496) is 6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate.
What is the SMILES notation for 6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate?
The canonical SMILES for 6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate is O=C(OCCCCCCOC(=O)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate?
The InChIKey is OMUYYXJJSURLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6/c21-17-9-5-15(6-10-17)19(23)25-13-3-1-2-4-14-26-20(24)16-7-11-18(22)12-8-16/h5-12,21-22H,1-4,13-14H2.
What are the key properties of 6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate?
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate has a molecular weight of 358.39 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate is sourced from PubChem (CID 19881496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).