2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate

C17H16O6 — CID 154331756

IUPAC2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate
SMILESCC(C)(OC(=O)c1ccccc1O)OC(=O)c1ccccc1O
InChIInChI=1S/C17H16O6/c1-17(2,22-15(20)11-7-3-5-9-13(11)18)23-16(21)12-8-4-6-10-14(12)19/h3-10,18-19H,1-2H3
InChIKeyNXKDUYLTQTWXPU-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.85
Rot. Bonds4

About 2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate

2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate (PubChem CID 154331756) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate.

Molecular Properties

Compound Name2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate
PubChem CID154331756
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate
SMILESCC(C)(OC(=O)c1ccccc1O)OC(=O)c1ccccc1O
InChIInChI=1S/C17H16O6/c1-17(2,22-15(20)11-7-3-5-9-13(11)18)23-16(21)12-8-4-6-10-14(12)19/h3-10,18-19H,1-2H3
InChIKeyNXKDUYLTQTWXPU-UHFFFAOYSA-N
XLogP2.85
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 71111006
CID 71111006
tert-butyl 2-hydroxybenzoate;cobalt
CID 70348779
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
amino 2-hydroxybenzoate
CID 12598418
1-(2-hydroxyphenyl)-2,2-dimethylpropan-1-one
CID 11586385
Dimethylsilyl salicylate
CID 22616670
methyl 2-hydroxybenzoate;urea
CID 174888687
strontium;acetyl 2-hydroxybenzoate;hydride
CID 172999846
calcium;acetyl 2-hydroxybenzoate;hydride
CID 173063515
(2-hydroxybenzoyl)peroxycarbonyl 2-hydroxybenzenecarboperoxoate
CID 141348519
2,4-dimethyloctan-2-yl 2-hydroxybenzoate
CID 166045639

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate?
The IUPAC name of 2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate (CID 154331756) is 2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate.
What is the SMILES notation for 2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate?
The canonical SMILES for 2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate is CC(C)(OC(=O)c1ccccc1O)OC(=O)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate?
The InChIKey is NXKDUYLTQTWXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c1-17(2,22-15(20)11-7-3-5-9-13(11)18)23-16(21)12-8-4-6-10-14(12)19/h3-10,18-19H,1-2H3.
What are the key properties of 2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate?
2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate has a molecular weight of 316.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybenzoyl)oxypropan-2-yl 2-hydroxybenzoate is sourced from PubChem (CID 154331756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).