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

C11H12O3 — CID 83877984

IUPAC1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESCC(=O)c1cc2c(cc1O)OC(C)C2
InChIInChI=1S/C11H12O3/c1-6-3-8-4-9(7(2)12)10(13)5-11(8)14-6/h4-6,13H,3H2,1-2H3
InChIKeyJENVGVCOTBEDQN-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.92
Rot. Bonds1

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

1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone (PubChem CID 83877984) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
PubChem CID83877984
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
SMILESCC(=O)c1cc2c(cc1O)OC(C)C2
InChIInChI=1S/C11H12O3/c1-6-3-8-4-9(7(2)12)10(13)5-11(8)14-6/h4-6,13H,3H2,1-2H3
InChIKeyJENVGVCOTBEDQN-UHFFFAOYSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 83882744
1-[(2S)-6-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
CID 10036992
2-amino-2-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 83891030
methyl (2S)-2-[(2S)-6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl]propanoate
CID 162904568
4-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 83897017
2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde
CID 83877987
2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-6-ol
CID 137018770
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylpentane-1,4-dione
CID 115349529

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone (CID 83877984) is 1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone is CC(=O)c1cc2c(cc1O)OC(C)C2.
What is the InChIKey of 1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone?
The InChIKey is JENVGVCOTBEDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-6-3-8-4-9(7(2)12)10(13)5-11(8)14-6/h4-6,13H,3H2,1-2H3.
What are the key properties of 1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone?
1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone has a molecular weight of 192.21 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 83877984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).