9-(hydroxymethyl)furo[3,2-g]chromen-7-one

C12H8O4 — CID 20823678

IUPAC9-(hydroxymethyl)furo[3,2-g]chromen-7-one
SMILESO=c1ccc2cc3ccoc3c(CO)c2o1
InChIInChI=1S/C12H8O4/c13-6-9-11-8(3-4-15-11)5-7-1-2-10(14)16-12(7)9/h1-5,13H,6H2
InChIKeyHJOWQHLXTLCYRJ-UHFFFAOYSA-N
MW216.19 g/mol
LogP2.03
Rot. Bonds1

About 9-(hydroxymethyl)furo[3,2-g]chromen-7-one

9-(hydroxymethyl)furo[3,2-g]chromen-7-one (PubChem CID 20823678) has the molecular formula C12H8O4 and a molecular weight of 216.19 g/mol. Its IUPAC name is 9-(hydroxymethyl)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-(hydroxymethyl)furo[3,2-g]chromen-7-one
PubChem CID20823678
Molecular FormulaC12H8O4
Molecular Weight216.19 g/mol
Exact Mass216.04
IUPAC Name9-(hydroxymethyl)furo[3,2-g]chromen-7-one
SMILESO=c1ccc2cc3ccoc3c(CO)c2o1
InChIInChI=1S/C12H8O4/c13-6-9-11-8(3-4-15-11)5-7-1-2-10(14)16-12(7)9/h1-5,13H,6H2
InChIKeyHJOWQHLXTLCYRJ-UHFFFAOYSA-N
XLogP2.03
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

8-(hydroxymethyl)-6-[[8-(hydroxymethyl)-7-methyl-2-oxochromen-6-yl]methyl]-7-methylchromen-2-one
CID 139221448
9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one
CID 142673674
9-prop-2-enoxyfuro[3,2-g]chromen-7-one
CID 12772891
[1]benzofuro[7,6-h]chromen-8-one
CID 57357836
8-(hydroxymethyl)-7-methoxychromen-2-one
CID 1051542
9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
CID 88593145
9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one
CID 26211019
9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one
CID 71440405
(6-fluoro-1-benzofuran-7-yl)methanol
CID 117276362
9-[(2R)-3-chloro-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
CID 91885198
9-[[(2S)-2,3,3-trimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
CID 163032270
7-hydroxy-8-(3-hydroxypropyl)chromen-2-one
CID 145469984

Frequently Asked Questions

What is the IUPAC name of 9-(hydroxymethyl)furo[3,2-g]chromen-7-one?
The IUPAC name of 9-(hydroxymethyl)furo[3,2-g]chromen-7-one (CID 20823678) is 9-(hydroxymethyl)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 9-(hydroxymethyl)furo[3,2-g]chromen-7-one?
The canonical SMILES for 9-(hydroxymethyl)furo[3,2-g]chromen-7-one is O=c1ccc2cc3ccoc3c(CO)c2o1.
What is the InChIKey of 9-(hydroxymethyl)furo[3,2-g]chromen-7-one?
The InChIKey is HJOWQHLXTLCYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4/c13-6-9-11-8(3-4-15-11)5-7-1-2-10(14)16-12(7)9/h1-5,13H,6H2.
What are the key properties of 9-(hydroxymethyl)furo[3,2-g]chromen-7-one?
9-(hydroxymethyl)furo[3,2-g]chromen-7-one has a molecular weight of 216.19 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethyl)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 20823678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).