4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one

C15H14O6 — CID 162925476

IUPAC4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one
SMILESC=C(C)[C@@H](O)COc1cc2ccc(=O)oc2c2c1OCO2
InChIInChI=1S/C15H14O6/c1-8(2)10(16)6-18-11-5-9-3-4-12(17)21-13(9)15-14(11)19-7-20-15/h3-5,10,16H,1,6-7H2,2H3/t10-/m0/s1
InChIKeyVWFRVIMLJHMPTJ-JTQLQIEISA-N
MW290.27 g/mol
LogP1.84
Rot. Bonds4

About 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one

4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one (PubChem CID 162925476) has the molecular formula C15H14O6 and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one.

Molecular Properties

Compound Name4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one
PubChem CID162925476
Molecular FormulaC15H14O6
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Name4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one
SMILESC=C(C)[C@@H](O)COc1cc2ccc(=O)oc2c2c1OCO2
InChIInChI=1S/C15H14O6/c1-8(2)10(16)6-18-11-5-9-3-4-12(17)21-13(9)15-14(11)19-7-20-15/h3-5,10,16H,1,6-7H2,2H3/t10-/m0/s1
InChIKeyVWFRVIMLJHMPTJ-JTQLQIEISA-N
XLogP1.84
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
CID 13343540
8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one
CID 162965351
6-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-8,8-dimethylpyrano[2,3-f]chromen-2-one
CID 171353313
1,4,7-trihydroxy-5-(2-hydroxy-3-methylbut-3-enoxy)fluoren-9-one
CID 162853707
6-ethoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one
CID 171357519
7,8-dihydroxy-6-(iodomethoxy)chromen-2-one
CID 88563798
8-[(1R,2R)-2-hydroxy-1-methoxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
CID 26183438
9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
CID 88593145
9-[(2R)-3-chloro-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
CID 91885198
[1-(6,7-dimethoxy-2-oxochromen-8-yl)-3-methyl-2-oxobut-3-enyl] acetate
CID 15730551
[(2R)-2-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] 3-methylbutanoate
CID 38357092
7-(2-bromobutoxy)-6-hydroxychromen-2-one
CID 86272571

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one?
The IUPAC name of 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one (CID 162925476) is 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one.
What is the SMILES notation for 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one?
The canonical SMILES for 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one is C=C(C)[C@@H](O)COc1cc2ccc(=O)oc2c2c1OCO2.
What is the InChIKey of 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one?
The InChIKey is VWFRVIMLJHMPTJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14O6/c1-8(2)10(16)6-18-11-5-9-3-4-12(17)21-13(9)15-14(11)19-7-20-15/h3-5,10,16H,1,6-7H2,2H3/t10-/m0/s1.
What are the key properties of 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one?
4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one has a molecular weight of 290.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-hydroxy-3-methylbut-3-enoxy]-[1,3]dioxolo[4,5-h]chromen-8-one is sourced from PubChem (CID 162925476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).