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

C16H14O4 — CID 88593145

IUPAC9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
SMILESC=C(C)CCOc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-4,6,8-9H,1,5,7H2,2H3
InChIKeyJBEBQNMGJNVMMV-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.88
Rot. Bonds4

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

9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one (PubChem CID 88593145) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
PubChem CID88593145
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
SMILESC=C(C)CCOc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-4,6,8-9H,1,5,7H2,2H3
InChIKeyJBEBQNMGJNVMMV-UHFFFAOYSA-N
XLogP3.88
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-prop-2-enoxyfuro[3,2-g]chromen-7-one
CID 12772891
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
9-(2-methylbut-3-en-2-yloxy)furo[3,2-g]chromen-7-one
CID 71331273
9-[(2,5,5-trimethylcyclohexen-1-yl)methoxy]furo[3,2-g]chromen-7-one
CID 657158
9-[(2R)-2-hydroxy-3-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy]furo[3,2-g]chromen-7-one
CID 162890113
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
9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one
CID 162888730
9-(hydroxymethyl)furo[3,2-g]chromen-7-one
CID 20823678
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-methoxyfuro[3,2-g]chromen-7-one;2-phenylethylhydrazine
CID 87812173
2,24-dimethyl-12-N-[5-[4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutanoylamino]pentyl]pentacosane-2,4,6,8,10,12,14,16,18,20,22-undecacarboxamide
CID 58867938

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one?
The IUPAC name of 9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one (CID 88593145) is 9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one?
The canonical SMILES for 9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one is C=C(C)CCOc1c2occc2cc2ccc(=O)oc12.
What is the InChIKey of 9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one?
The InChIKey is JBEBQNMGJNVMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-4,6,8-9H,1,5,7H2,2H3.
What are the key properties of 9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one?
9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one has a molecular weight of 270.28 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 88593145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).