(2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate

C15H12O4 — CID 102165607

IUPAC(2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate
SMILESCC(=O)OC1(C)Oc2ccc3ccccc3c2C1=O
InChIInChI=1S/C15H12O4/c1-9(16)18-15(2)14(17)13-11-6-4-3-5-10(11)7-8-12(13)19-15/h3-8H,1-2H3
InChIKeyRYEVWNKRBRAJGV-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.69
Rot. Bonds1

About (2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate

(2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate (PubChem CID 102165607) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate.

Molecular Properties

Compound Name(2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate
PubChem CID102165607
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name(2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate
SMILESCC(=O)OC1(C)Oc2ccc3ccccc3c2C1=O
InChIInChI=1S/C15H12O4/c1-9(16)18-15(2)14(17)13-11-6-4-3-5-10(11)7-8-12(13)19-15/h3-8H,1-2H3
InChIKeyRYEVWNKRBRAJGV-UHFFFAOYSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethylbenzo[f][1,3]benzodioxin-1-one
CID 142590580
(2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one
CID 139042115
2-hydroxy-2-naphthalen-2-ylbenzo[e][1]benzofuran-1-one
CID 122383805
(2S)-2-benzyl-2-methylbenzo[f]chromene-1,3-dione
CID 825143
(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
CID 830125
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
18-methoxy-12,27-dioxaheptacyclo[26.8.0.02,11.03,8.014,19.020,25.031,36]hexatriaconta-1(28),2(11),3,5,7,9,14(19),15,17,20,22,24,29,31,33,35-hexadecaene-13,26-dione
CID 10436769
ethyl acetate;phenanthrene
CID 160726264
cis-[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl] (1R,3R)-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxylate
CID 24806758
14,14-dimethyl-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
CID 59790961
2-iodo-1-naphthalen-1-ylbutane-1,3-dione
CID 165350066
1-ethenyl-3-methyl-3-phenylbenzo[f]chromene
CID 102490161

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate?
The IUPAC name of (2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate (CID 102165607) is (2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate.
What is the SMILES notation for (2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate?
The canonical SMILES for (2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate is CC(=O)OC1(C)Oc2ccc3ccccc3c2C1=O.
What is the InChIKey of (2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate?
The InChIKey is RYEVWNKRBRAJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-9(16)18-15(2)14(17)13-11-6-4-3-5-10(11)7-8-12(13)19-15/h3-8H,1-2H3.
What are the key properties of (2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate?
(2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate has a molecular weight of 256.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-oxobenzo[e][1]benzofuran-2-yl) acetate is sourced from PubChem (CID 102165607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).