(5-acetyloxy-2-oxochromen-7-yl) acetate

C13H10O6 — CID 850911

IUPAC(5-acetyloxy-2-oxochromen-7-yl) acetate
SMILESCC(=O)Oc1cc(OC(C)=O)c2ccc(=O)oc2c1
InChIInChI=1S/C13H10O6/c1-7(14)17-9-5-11(18-8(2)15)10-3-4-13(16)19-12(10)6-9/h3-6H,1-2H3
InChIKeyYVFCHGMDKPGYIK-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.64
Rot. Bonds2

About (5-acetyloxy-2-oxochromen-7-yl) acetate

(5-acetyloxy-2-oxochromen-7-yl) acetate (PubChem CID 850911) has the molecular formula C13H10O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is (5-acetyloxy-2-oxochromen-7-yl) acetate.

Molecular Properties

Compound Name(5-acetyloxy-2-oxochromen-7-yl) acetate
PubChem CID850911
Molecular FormulaC13H10O6
Molecular Weight262.22 g/mol
Exact Mass262.05
IUPAC Name(5-acetyloxy-2-oxochromen-7-yl) acetate
SMILESCC(=O)Oc1cc(OC(C)=O)c2ccc(=O)oc2c1
InChIInChI=1S/C13H10O6/c1-7(14)17-9-5-11(18-8(2)15)10-3-4-13(16)19-12(10)6-9/h3-6H,1-2H3
InChIKeyYVFCHGMDKPGYIK-UHFFFAOYSA-N
XLogP1.64
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-oxochromen-5-yl) acetate
CID 12853206
(6,8-diacetyloxy-9-oxoxanthen-3-yl) acetate
CID 70687596
(7-oxofuro[3,2-g]chromen-4-yl) acetate
CID 802311
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
(3-acetyloxy-1-benzofuran-6-yl) acetate
CID 3787261
(5,7-diacetyloxy-2-oxochromen-4-yl)methyl acetate
CID 13167346
[3-[2,6-diacetyloxy-4-(2,4,6-triacetyloxyphenoxy)phenoxy]-5-(2,4,6-triacetyloxyphenoxy)phenyl] acetate
CID 23426767
(8,9-diacetyloxy-6-oxo-[1]benzofuro[3,2-c]chromen-3-yl) acetate;hydrobromide
CID 90484364
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
CID 764192
[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenoxy]phenyl] acetate
CID 15689630
[2-oxo-4-(2-phenylethenyl)chromen-7-yl] acetate
CID 91605993
[7-[(2E,6E,9S,10R)-9,10-diacetyloxy-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-2-oxochromen-5-yl] acetate
CID 162933728

Frequently Asked Questions

What is the IUPAC name of (5-acetyloxy-2-oxochromen-7-yl) acetate?
The IUPAC name of (5-acetyloxy-2-oxochromen-7-yl) acetate (CID 850911) is (5-acetyloxy-2-oxochromen-7-yl) acetate.
What is the SMILES notation for (5-acetyloxy-2-oxochromen-7-yl) acetate?
The canonical SMILES for (5-acetyloxy-2-oxochromen-7-yl) acetate is CC(=O)Oc1cc(OC(C)=O)c2ccc(=O)oc2c1.
What is the InChIKey of (5-acetyloxy-2-oxochromen-7-yl) acetate?
The InChIKey is YVFCHGMDKPGYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O6/c1-7(14)17-9-5-11(18-8(2)15)10-3-4-13(16)19-12(10)6-9/h3-6H,1-2H3.
What are the key properties of (5-acetyloxy-2-oxochromen-7-yl) acetate?
(5-acetyloxy-2-oxochromen-7-yl) acetate has a molecular weight of 262.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-2-oxochromen-7-yl) acetate is sourced from PubChem (CID 850911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).