1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone

C16H14O2 — CID 138857520

IUPAC1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone
SMILESCCc1cc2c(cc(C(C)=O)c3ccccc32)o1
InChIInChI=1S/C16H14O2/c1-3-11-8-15-13-7-5-4-6-12(13)14(10(2)17)9-16(15)18-11/h4-9H,3H2,1-2H3
InChIKeyIGJZYXYYUIPZSR-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.35
Rot. Bonds2

About 1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone

1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone (PubChem CID 138857520) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone
PubChem CID138857520
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone
SMILESCCc1cc2c(cc(C(C)=O)c3ccccc32)o1
InChIInChI=1S/C16H14O2/c1-3-11-8-15-13-7-5-4-6-12(13)14(10(2)17)9-16(15)18-11/h4-9H,3H2,1-2H3
InChIKeyIGJZYXYYUIPZSR-UHFFFAOYSA-N
XLogP4.35
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-diaminonaphthalen-1-yl)ethanone
CID 154200913
1-[4-(diethylamino)-3-ethylnaphthalen-1-yl]ethanone
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(2-ethyl-7-hydroxy-1-benzofuran-4-yl)-phenylmethanone
CID 21400675
4-chloro-2-ethyl-1-benzofuran
CID 173058646
4-benzoyl-6-ethyl-3-hydroxypyran-2-one
CID 137086341
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
1-dibenzofuran-4-ylethanone
CID 15691981
1-(3-ethylazulen-1-yl)ethanone
CID 15255142
1-(4-bromo-1-benzofuran-2-yl)propan-2-one
CID 117194378
1-(2-benzyl-1-benzofuran-3-yl)ethanone
CID 13024727
1-[2-ethyl-7-(oxiran-2-ylmethoxy)-1-benzofuran-4-yl]ethanone
CID 21400669
2-(5-acetyl-6-oxopyran-2-yl)benzo[f]chromen-3-one
CID 71770111

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone?
The IUPAC name of 1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone (CID 138857520) is 1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone is CCc1cc2c(cc(C(C)=O)c3ccccc32)o1.
What is the InChIKey of 1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone?
The InChIKey is IGJZYXYYUIPZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-3-11-8-15-13-7-5-4-6-12(13)14(10(2)17)9-16(15)18-11/h4-9H,3H2,1-2H3.
What are the key properties of 1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone?
1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone has a molecular weight of 238.29 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbenzo[e][1]benzofuran-5-yl)ethanone is sourced from PubChem (CID 138857520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).