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

C16H14O5 — CID 511358

IUPAC4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
SMILESC=C(C)C(O)COc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,12,17H,1,8H2,2H3
InChIKeyBVMOMQJYQYBMKL-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.86
Rot. Bonds4

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

4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one (PubChem CID 511358) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
PubChem CID511358
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
SMILESC=C(C)C(O)COc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,12,17H,1,8H2,2H3
InChIKeyBVMOMQJYQYBMKL-UHFFFAOYSA-N
XLogP2.86
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one?
The IUPAC name of 4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one (CID 511358) is 4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one is C=C(C)C(O)COc1c2ccoc2cc2oc(=O)ccc12.
What is the InChIKey of 4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one?
The InChIKey is BVMOMQJYQYBMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,12,17H,1,8H2,2H3.
What are the key properties of 4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one?
4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one has a molecular weight of 286.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 511358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).