1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone

C10H8O4 — CID 123728474

IUPAC1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone
SMILESCC(=O)c1c(O)ccc2c(O)coc12
InChIInChI=1S/C10H8O4/c1-5(11)9-7(12)3-2-6-8(13)4-14-10(6)9/h2-4,12-13H,1H3
InChIKeyBUHZCYHUFNKQHN-UHFFFAOYSA-N
MW192.17 g/mol
LogP2.05
Rot. Bonds1

About 1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone

1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone (PubChem CID 123728474) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone.

Molecular Properties

Compound Name1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone
PubChem CID123728474
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone
SMILESCC(=O)c1c(O)ccc2c(O)coc12
InChIInChI=1S/C10H8O4/c1-5(11)9-7(12)3-2-6-8(13)4-14-10(6)9/h2-4,12-13H,1H3
InChIKeyBUHZCYHUFNKQHN-UHFFFAOYSA-N
XLogP2.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-hydroxy-3-methyl-1-benzofuran-7-yl)ethanone
CID 71361943
8-acetyl-7-hydroxychromen-2-one
CID 5411574
6-methoxy-1-benzofuran-3,7-diol
CID 123234995
2,3-diacetyl-4-hydroxybenzamide
CID 174459888
1-(5-bromo-2-hydroxynaphthalen-1-yl)ethanone
CID 167237921
1-(3,6-dihydroxy-2-propan-2-ylphenyl)ethanone
CID 101273343
1-(3-fluoro-6-hydroxy-2-methoxyphenyl)ethanone
CID 14118953
3-acetyl-2-chloro-4-hydroxybenzonitrile
CID 171008953
actinium;6-methyl-1-benzofuran-3-ol
CID 59083990
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
1-(2-bromo-6-hydroxyphenyl)ethanone
CID 53407096
1-(2-hydroxy-6-methoxynaphthalen-1-yl)ethanone
CID 13085663

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone?
The IUPAC name of 1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone (CID 123728474) is 1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone.
What is the SMILES notation for 1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone?
The canonical SMILES for 1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone is CC(=O)c1c(O)ccc2c(O)coc12.
What is the InChIKey of 1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone?
The InChIKey is BUHZCYHUFNKQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c1-5(11)9-7(12)3-2-6-8(13)4-14-10(6)9/h2-4,12-13H,1H3.
What are the key properties of 1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone?
1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone has a molecular weight of 192.17 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydroxy-1-benzofuran-7-yl)ethanone is sourced from PubChem (CID 123728474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).