(2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate

C17H12O5 — CID 23988914

IUPAC(2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate
SMILESCC(=O)Oc1cc(O)c2cc(C(=O)c3ccccc3)oc2c1
InChIInChI=1S/C17H12O5/c1-10(18)21-12-7-14(19)13-9-16(22-15(13)8-12)17(20)11-5-3-2-4-6-11/h2-9,19H,1H3
InChIKeyYAFVPAJLGNUJEQ-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.29
Rot. Bonds3

About (2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate

(2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate (PubChem CID 23988914) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is (2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate.

Molecular Properties

Compound Name(2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate
PubChem CID23988914
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name(2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate
SMILESCC(=O)Oc1cc(O)c2cc(C(=O)c3ccccc3)oc2c1
InChIInChI=1S/C17H12O5/c1-10(18)21-12-7-14(19)13-9-16(22-15(13)8-12)17(20)11-5-3-2-4-6-11/h2-9,19H,1H3
InChIKeyYAFVPAJLGNUJEQ-UHFFFAOYSA-N
XLogP3.29
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
(4,9-dimethoxybenzo[f][1]benzofuran-2-yl)-phenylmethanone
CID 66561178
[2-oxo-4-(2-phenylethenyl)chromen-7-yl] acetate
CID 91605993
benzyl 3-acetyloxybenzoate
CID 11334719
(5-acetyloxy-2-oxochromen-7-yl) acetate
CID 850911
phenyl acetate;hydroiodide
CID 172788123
(5-benzoylfuran-2-yl)-phenylmethanone
CID 22336637
(2-phenyl-1,3-benzoxazol-6-yl) acetate
CID 15662262
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
CID 764192
[2-acetyloxy-3-(acetyloxymethyl)-5-benzylphenyl]methyl acetate
CID 57040180
(3-benzoyl-2-hydroxyphenyl)methyl acetate
CID 141325026
CID 175499515
CID 175499515

Frequently Asked Questions

What is the IUPAC name of (2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate?
The IUPAC name of (2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate (CID 23988914) is (2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate.
What is the SMILES notation for (2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate?
The canonical SMILES for (2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate is CC(=O)Oc1cc(O)c2cc(C(=O)c3ccccc3)oc2c1.
What is the InChIKey of (2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate?
The InChIKey is YAFVPAJLGNUJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O5/c1-10(18)21-12-7-14(19)13-9-16(22-15(13)8-12)17(20)11-5-3-2-4-6-11/h2-9,19H,1H3.
What are the key properties of (2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate?
(2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate has a molecular weight of 296.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyl-4-hydroxy-1-benzofuran-6-yl) acetate is sourced from PubChem (CID 23988914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).