4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one

C16H14O4 — CID 5316520

IUPAC4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
SMILESC=CC(C)(C)c1c2occc2c(O)c2ccc(=O)oc12
InChIInChI=1S/C16H14O4/c1-4-16(2,3)12-14-10(7-8-19-14)13(18)9-5-6-11(17)20-15(9)12/h4-8,18H,1H2,2-3H3
InChIKeyXYCSWDLNRXCFHA-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.71
Rot. Bonds2

About 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one

4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one (PubChem CID 5316520) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
PubChem CID5316520
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
SMILESC=CC(C)(C)c1c2occc2c(O)c2ccc(=O)oc12
InChIInChI=1S/C16H14O4/c1-4-16(2,3)12-14-10(7-8-19-14)13(18)9-5-6-11(17)20-15(9)12/h4-8,18H,1H2,2-3H3
InChIKeyXYCSWDLNRXCFHA-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one?
The IUPAC name of 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one (CID 5316520) is 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one is C=CC(C)(C)c1c2occc2c(O)c2ccc(=O)oc12.
What is the InChIKey of 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one?
The InChIKey is XYCSWDLNRXCFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-4-16(2,3)12-14-10(7-8-19-14)13(18)9-5-6-11(17)20-15(9)12/h4-8,18H,1H2,2-3H3.
What are the key properties of 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one?
4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one has a molecular weight of 270.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 5316520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).