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

C12H12O3 — CID 90143254

IUPAC1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2cc(C)c(C)cc2c1O
InChIInChI=1S/C12H12O3/c1-6-4-9-10(5-7(6)2)15-12(8(3)13)11(9)14/h4-5,14H,1-3H3
InChIKeyLPKPLMWCHMOPGW-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.96
Rot. Bonds1

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

1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone (PubChem CID 90143254) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone
PubChem CID90143254
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone
SMILESCC(=O)c1oc2cc(C)c(C)cc2c1O
InChIInChI=1S/C12H12O3/c1-6-4-9-10(5-7(6)2)15-12(8(3)13)11(9)14/h4-5,14H,1-3H3
InChIKeyLPKPLMWCHMOPGW-UHFFFAOYSA-N
XLogP2.96
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-hydroxy-1-benzofuran-2-yl)ethanone
CID 82372665
4-hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)methyl]-6,7-dimethylchromen-2-one
CID 54736430
4,6-dihydroxy-3,7-dimethylchromen-2-one
CID 102497049
3,4,7-trihydroxy-6-methylchromen-2-one
CID 156582420
2-acetyl-6-methyl-1-benzofuran-3-carboxylic acid
CID 59788921
1-(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)ethanone
CID 43155101
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
4-hydroxy-3-[1-(4-hydroxy-6,7-dimethyl-2-oxochromen-3-yl)-2-nitrosoethyl]-6,7-dimethylchromen-2-one
CID 91298838
5,6-dimethyl-1-benzofuran-3-carboxylic acid
CID 75458261
N-acetyl-N-[8-(diacetylamino)-3,7-dimethyldibenzofuran-2-yl]acetamide
CID 58849639
3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one
CID 137098680
1-(3-amino-5-hydroxy-1-benzofuran-2-yl)ethanone
CID 143831160

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone (CID 90143254) is 1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone is CC(=O)c1oc2cc(C)c(C)cc2c1O.
What is the InChIKey of 1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone?
The InChIKey is LPKPLMWCHMOPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-6-4-9-10(5-7(6)2)15-12(8(3)13)11(9)14/h4-5,14H,1-3H3.
What are the key properties of 1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone?
1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone has a molecular weight of 204.22 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-5,6-dimethyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 90143254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).