1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone

C12H14O3 — CID 83882748

IUPAC1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
SMILESCCOc1cc2c(cc1C(C)=O)OCC2
InChIInChI=1S/C12H14O3/c1-3-14-12-6-9-4-5-15-11(9)7-10(12)8(2)13/h6-7H,3-5H2,1-2H3
InChIKeyKBSFCEVTPHCLSC-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.22
Rot. Bonds3

About 1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone

1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone (PubChem CID 83882748) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
PubChem CID83882748
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
SMILESCCOc1cc2c(cc1C(C)=O)OCC2
InChIInChI=1S/C12H14O3/c1-3-14-12-6-9-4-5-15-11(9)7-10(12)8(2)13/h6-7H,3-5H2,1-2H3
InChIKeyKBSFCEVTPHCLSC-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(methoxymethoxy)-2,3-dihydro-1-benzofuran-5-yl]ethanone
CID 24977225
1-(5-ethoxy-1,3-benzoxathiol-6-yl)ethanone
CID 66871442
2-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)-N-methylethanamine
CID 83890042
1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)propan-2-amine
CID 83890043
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone
CID 62301805
2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83897026
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxybenzamide
CID 38558658
(NE)-N-[1-(6-propoxy-3,4-dihydro-2H-chromen-7-yl)ethylidene]hydroxylamine
CID 58492418
ethyl 2,3-dihydrobenzo[f][1]benzofuran-6-carboxylate
CID 18769105
3-cyclopropyl-3-(5-methoxy-2,3-dihydro-1-benzofuran-6-yl)propanoic acid
CID 117410129

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone?
The IUPAC name of 1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone (CID 83882748) is 1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone.
What is the SMILES notation for 1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone?
The canonical SMILES for 1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone is CCOc1cc2c(cc1C(C)=O)OCC2.
What is the InChIKey of 1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone?
The InChIKey is KBSFCEVTPHCLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-14-12-6-9-4-5-15-11(9)7-10(12)8(2)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone?
1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone has a molecular weight of 206.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone is sourced from PubChem (CID 83882748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).