1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone

C17H14O4 — CID 953008

IUPAC1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone
SMILESCc1oc2ccccc2c1CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H14O4/c1-10-14(12-4-2-3-5-17(12)21-10)9-16(20)13-7-6-11(18)8-15(13)19/h2-8,18-19H,9H2,1H3
InChIKeyVWUUFTZCOWHWBT-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.58
Rot. Bonds3

About 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone

1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone (PubChem CID 953008) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone
PubChem CID953008
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone
SMILESCc1oc2ccccc2c1CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H14O4/c1-10-14(12-4-2-3-5-17(12)21-10)9-16(20)13-7-6-11(18)8-15(13)19/h2-8,18-19H,9H2,1H3
InChIKeyVWUUFTZCOWHWBT-UHFFFAOYSA-N
XLogP3.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone (CID 953008) is 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone is Cc1oc2ccccc2c1CC(=O)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone?
The InChIKey is VWUUFTZCOWHWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-10-14(12-4-2-3-5-17(12)21-10)9-16(20)13-7-6-11(18)8-15(13)19/h2-8,18-19H,9H2,1H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone?
1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone has a molecular weight of 282.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(2-methyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 953008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).