(2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate

C16H14O6 — CID 141429997

IUPAC(2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate
SMILESCC(=O)Oc1ccccc1OC(=O)Cc1c(O)cccc1O
InChIInChI=1S/C16H14O6/c1-10(17)21-14-7-2-3-8-15(14)22-16(20)9-11-12(18)5-4-6-13(11)19/h2-8,18-19H,9H2,1H3
InChIKeyKRYNXLZRJBBYPP-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.17
Rot. Bonds4

About (2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate

(2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate (PubChem CID 141429997) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is (2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate.

Molecular Properties

Compound Name(2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate
PubChem CID141429997
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name(2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate
SMILESCC(=O)Oc1ccccc1OC(=O)Cc1c(O)cccc1O
InChIInChI=1S/C16H14O6/c1-10(17)21-14-7-2-3-8-15(14)22-16(20)9-11-12(18)5-4-6-13(11)19/h2-8,18-19H,9H2,1H3
InChIKeyKRYNXLZRJBBYPP-UHFFFAOYSA-N
XLogP2.17
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate?
The IUPAC name of (2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate (CID 141429997) is (2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate.
What is the SMILES notation for (2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate?
The canonical SMILES for (2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate is CC(=O)Oc1ccccc1OC(=O)Cc1c(O)cccc1O.
What is the InChIKey of (2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate?
The InChIKey is KRYNXLZRJBBYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-10(17)21-14-7-2-3-8-15(14)22-16(20)9-11-12(18)5-4-6-13(11)19/h2-8,18-19H,9H2,1H3.
What are the key properties of (2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate?
(2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate has a molecular weight of 302.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxyphenyl) 2-(2,6-dihydroxyphenyl)acetate is sourced from PubChem (CID 141429997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).