5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol

C56H62O15 — CID 159513901

IUPAC5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol
SMILESC=C1CCOc2cccc(OCOC)c21.COCOc1cccc2c1C(=O)CCO2.COCOc1cccc2c1C1(CCO2)CC1.O=C1CCOc2cccc(O)c21.Oc1cccc2c1C1(CCO2)CC1
InChIInChI=1S/C13H16O3.C12H14O3.C11H12O4.C11H12O2.C9H8O3/c1-14-9-16-11-4-2-3-10-12(11)13(5-6-13)7-8-15-10;1-9-6-7-14-10-4-3-5-11(12(9)10)15-8-13-2;1-13-7-15-10-4-2-3-9-11(10)8(12)5-6-14-9;12-8-2-1-3-9-10(8)11(4-5-11)6-7-13-9;10-6-2-1-3-8-9(6)7(11)4-5-12-8/h2-4H,5-9H2,1H3;3-5H,1,6-8H2,2H3;2-4H,5-7H2,1H3;1-3,12H,4-7H2;1-3,10H,4-5H2
InChIKeyMAYBHBOFSHLRJJ-UHFFFAOYSA-N
MW975.10 g/mol
LogP10.15
Rot. Bonds9

About 5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol

5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol (PubChem CID 159513901) has the molecular formula C56H62O15 and a molecular weight of 975.10 g/mol. Its IUPAC name is 5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol.

Molecular Properties

Compound Name5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol
PubChem CID159513901
Molecular FormulaC56H62O15
Molecular Weight975.10 g/mol
Exact Mass974.41
IUPAC Name5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol
SMILESC=C1CCOc2cccc(OCOC)c21.COCOc1cccc2c1C(=O)CCO2.COCOc1cccc2c1C1(CCO2)CC1.O=C1CCOc2cccc(O)c21.Oc1cccc2c1C1(CCO2)CC1
InChIInChI=1S/C13H16O3.C12H14O3.C11H12O4.C11H12O2.C9H8O3/c1-14-9-16-11-4-2-3-10-12(11)13(5-6-13)7-8-15-10;1-9-6-7-14-10-4-3-5-11(12(9)10)15-8-13-2;1-13-7-15-10-4-2-3-9-11(10)8(12)5-6-14-9;12-8-2-1-3-9-10(8)11(4-5-11)6-7-13-9;10-6-2-1-3-8-9(6)7(11)4-5-12-8/h2-4H,5-9H2,1H3;3-5H,1,6-8H2,2H3;2-4H,5-7H2,1H3;1-3,12H,4-7H2;1-3,10H,4-5H2
InChIKeyMAYBHBOFSHLRJJ-UHFFFAOYSA-N
XLogP10.15
TPSA176.13 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.10
LogP ≤ 510.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol?
The IUPAC name of 5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol (CID 159513901) is 5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol.
What is the SMILES notation for 5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol?
The canonical SMILES for 5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol is C=C1CCOc2cccc(OCOC)c21.COCOc1cccc2c1C(=O)CCO2.COCOc1cccc2c1C1(CCO2)CC1.O=C1CCOc2cccc(O)c21.Oc1cccc2c1C1(CCO2)CC1.
What is the InChIKey of 5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol?
The InChIKey is MAYBHBOFSHLRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3.C12H14O3.C11H12O4.C11H12O2.C9H8O3/c1-14-9-16-11-4-2-3-10-12(11)13(5-6-13)7-8-15-10;1-9-6-7-14-10-4-3-5-11(12(9)10)15-8-13-2;1-13-7-15-10-4-2-3-9-11(10)8(12)5-6-14-9;12-8-2-1-3-9-10(8)11(4-5-11)6-7-13-9;10-6-2-1-3-8-9(6)7(11)4-5-12-8/h2-4H,5-9H2,1H3;3-5H,1,6-8H2,2H3;2-4H,5-7H2,1H3;1-3,12H,4-7H2;1-3,10H,4-5H2.
What are the key properties of 5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol?
5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol has a molecular weight of 975.10 g/mol, XLogP of 10.15, 9 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-2,3-dihydrochromen-4-one;5-(methoxymethoxy)-4-methylidene-2,3-dihydrochromene;5-(methoxymethoxy)spiro[2,3-dihydrochromene-4,1'-cyclopropane];spiro[2,3-dihydrochromene-4,1'-cyclopropane]-5-ol is sourced from PubChem (CID 159513901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).