2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate

C72H76O28 — CID 158715595

About 2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate

2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate (PubChem CID 158715595) has the molecular formula C72H76O28 and a molecular weight of 1389.37 g/mol. Its IUPAC name is 2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate.

Molecular Properties

• Compound Name: 2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate
• PubChem CID: 158715595
• Molecular Formula: C72H76O28
• Molecular Weight: 1389.37 g/mol
• Exact Mass: 1388.45
• IUPAC Name: 2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate
• SMILES: CC(CO)OC(=O)c1ccccc1O.CC(COC(=O)c1ccccc1O)OC(=O)c1ccccc1O.CC(O)COC(=O)c1ccccc1O.O=C(OCCCO)c1ccccc1O.O=C(OCCO)c1ccccc1O.O=C(OCCOC(=O)c1ccccc1O)c1ccccc1O
• InChI: InChI=1S/C17H16O6.C16H14O6.3C10H12O4.C9H10O4/c1-11(23-17(21)13-7-3-5-9-15(13)19)10-22-16(20)12-6-2-4-8-14(12)18;17-13-7-3-1-5-11(13)15(19)21-9-10-22-16(20)12-6-2-4-8-14(12)18;1-7(11)6-14-10(13)8-4-2-3-5-9(8)12;1-7(6-11)14-10(13)8-4-2-3-5-9(8)12;11-6-3-7-14-10(13)8-4-1-2-5-9(8)12;10-5-6-13-9(12)7-3-1-2-4-8(7)11/h2-9,11,18-19H,10H2,1H3;1-8,17-18H,9-10H2;2*2-5,7,11-12H,6H2,1H3;1-2,4-5,11-12H,3,6-7H2;1-4,10-11H,5-6H2
• InChIKey: IJGPGOMKALYKKC-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 453.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1389.37
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate?

The IUPAC name of 2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate (CID 158715595) is 2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate.

What is the SMILES notation for 2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate?

The canonical SMILES for 2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate is CC(CO)OC(=O)c1ccccc1O.CC(COC(=O)c1ccccc1O)OC(=O)c1ccccc1O.CC(O)COC(=O)c1ccccc1O.O=C(OCCCO)c1ccccc1O.O=C(OCCO)c1ccccc1O.O=C(OCCOC(=O)c1ccccc1O)c1ccccc1O.

What is the InChIKey of 2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate?

The InChIKey is IJGPGOMKALYKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6.C16H14O6.3C10H12O4.C9H10O4/c1-11(23-17(21)13-7-3-5-9-15(13)19)10-22-16(20)12-6-2-4-8-14(12)18;17-13-7-3-1-5-11(13)15(19)21-9-10-22-16(20)12-6-2-4-8-14(12)18;1-7(11)6-14-10(13)8-4-2-3-5-9(8)12;1-7(6-11)14-10(13)8-4-2-3-5-9(8)12;11-6-3-7-14-10(13)8-4-1-2-5-9(8)12;10-5-6-13-9(12)7-3-1-2-4-8(7)11/h2-9,11,18-19H,10H2,1H3;1-8,17-18H,9-10H2;2*2-5,7,11-12H,6H2,1H3;1-2,4-5,11-12H,3,6-7H2;1-4,10-11H,5-6H2.

What are the key properties of 2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate?

2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate has a molecular weight of 1389.37 g/mol, XLogP of 7.94, 23 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxybenzoyl)oxyethyl 2-hydroxybenzoate;2-(2-hydroxybenzoyl)oxypropyl 2-hydroxybenzoate;2-hydroxyethyl 2-hydroxybenzoate;1-hydroxypropan-2-yl 2-hydroxybenzoate;2-hydroxypropyl 2-hydroxybenzoate;3-hydroxypropyl 2-hydroxybenzoate is sourced from PubChem (CID 158715595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).