9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one

C16H14O4 — CID 71440405

IUPAC9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one
SMILESCC(C)(O)C=Cc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C16H14O4/c1-16(2,18)7-5-12-14-11(6-8-19-14)9-10-3-4-13(17)20-15(10)12/h3-9,18H,1-2H3
InChIKeyYCWBXVBPBPUAQF-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.32
Rot. Bonds2

About 9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one

9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one (PubChem CID 71440405) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one
PubChem CID71440405
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one
SMILESCC(C)(O)C=Cc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C16H14O4/c1-16(2,18)7-5-12-14-11(6-8-19-14)9-10-3-4-13(17)20-15(10)12/h3-9,18H,1-2H3
InChIKeyYCWBXVBPBPUAQF-UHFFFAOYSA-N
XLogP3.32
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.32
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

9-[(E)-3-hydroxy-3-methylbut-1-enyl]furo[3,2-g]chromen-7-one
CID 26211019
9-(2-methylbut-3-en-2-yloxy)furo[3,2-g]chromen-7-one
CID 71331273
9-(hydroxymethyl)furo[3,2-g]chromen-7-one
CID 20823678
9-[(2R)-3-chloro-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
CID 91885198
9-prop-2-enoxyfuro[3,2-g]chromen-7-one
CID 12772891
9-[(2R)-2-hydroxy-3-[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl]oxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
CID 10674926
[1]benzofuro[7,6-h]chromen-8-one
CID 57357836
9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
CID 88593145
9-[(2R)-2-hydroxy-3-[(2R)-3-[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl]oxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl]oxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
CID 102412646
9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one
CID 162888730
9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one
CID 142673674
9-[[(2S)-2,3,3-trimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
CID 163032270

Frequently Asked Questions

What is the IUPAC name of 9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one?
The IUPAC name of 9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one (CID 71440405) is 9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one?
The canonical SMILES for 9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one is CC(C)(O)C=Cc1c2occc2cc2ccc(=O)oc12.
What is the InChIKey of 9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one?
The InChIKey is YCWBXVBPBPUAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-16(2,18)7-5-12-14-11(6-8-19-14)9-10-3-4-13(17)20-15(10)12/h3-9,18H,1-2H3.
What are the key properties of 9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one?
9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one has a molecular weight of 270.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-hydroxy-3-methylbut-1-enyl)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 71440405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).