8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one

C97H108N4O24S — CID 157092777

About 8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one

8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one (PubChem CID 157092777) has the molecular formula C97H108N4O24S and a molecular weight of 1746.00 g/mol. Its IUPAC name is 8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one.

Molecular Properties

• Compound Name: 8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one
• PubChem CID: 157092777
• Molecular Formula: C97H108N4O24S
• Molecular Weight: 1746.00 g/mol
• Exact Mass: 1744.71
• IUPAC Name: 8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one
• SMILES: C=C(C)C1C(c2ccc(N(C)C)cc2)c2cc3c(cc2OC1(C)O)OCO3.C=S(=O)(NNC1Oc2cc3c(cc2C(c2cc(OC)c(OC)c(OC)c2)C1C)OCO3)c1ccc(C)cc1.CCOC(=O)C1C(c2ccc(OC)cc2)c2cc3c(cc2OC1(C)N1CCCC1)OCO3.COc1cc(C2c3cc4c(cc3OC3CCC(=O)C32)OCO4)cc(OC)c1OC
• InChI: InChI=1S/C28H32N2O7S.C25H29NO6.C22H25NO4.C22H22O7/c1-16-7-9-19(10-8-16)38(6,31)30-29-28-17(2)26(18-11-24(32-3)27(34-5)25(12-18)33-4)20-13-22-23(36-15-35-22)14-21(20)37-28;1-4-29-24(27)23-22(16-7-9-17(28-3)10-8-16)18-13-20-21(31-15-30-20)14-19(18)32-25(23,2)26-11-5-6-12-26;1-13(2)21-20(14-6-8-15(9-7-14)23(4)5)16-10-18-19(26-12-25-18)11-17(16)27-22(21,3)24;1-24-18-6-11(7-19(25-2)22(18)26-3)20-12-8-16-17(28-10-27-16)9-15(12)29-14-5-4-13(23)21(14)20/h7-14,17,26,28-29H,6,15H2,1-5H3,(H,30,31);7-10,13-14,22-23H,4-6,11-12,15H2,1-3H3;6-11,20-21,24H,1,12H2,2-5H3;6-9,14,20-21H,4-5,10H2,1-3H3
• InChIKey: AEVXYEFKZXNTNL-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 286.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1746.00
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one?

The IUPAC name of 8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one (CID 157092777) is 8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one.

What is the SMILES notation for 8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one?

The canonical SMILES for 8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one is C=C(C)C1C(c2ccc(N(C)C)cc2)c2cc3c(cc2OC1(C)O)OCO3.C=S(=O)(NNC1Oc2cc3c(cc2C(c2cc(OC)c(OC)c(OC)c2)C1C)OCO3)c1ccc(C)cc1.CCOC(=O)C1C(c2ccc(OC)cc2)c2cc3c(cc2OC1(C)N1CCCC1)OCO3.COc1cc(C2c3cc4c(cc3OC3CCC(=O)C32)OCO4)cc(OC)c1OC.

What is the InChIKey of 8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one?

The InChIKey is AEVXYEFKZXNTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O7S.C25H29NO6.C22H25NO4.C22H22O7/c1-16-7-9-19(10-8-16)38(6,31)30-29-28-17(2)26(18-11-24(32-3)27(34-5)25(12-18)33-4)20-13-22-23(36-15-35-22)14-21(20)37-28;1-4-29-24(27)23-22(16-7-9-17(28-3)10-8-16)18-13-20-21(31-15-30-20)14-19(18)32-25(23,2)26-11-5-6-12-26;1-13(2)21-20(14-6-8-15(9-7-14)23(4)5)16-10-18-19(26-12-25-18)11-17(16)27-22(21,3)24;1-24-18-6-11(7-19(25-2)22(18)26-3)20-12-8-16-17(28-10-27-16)9-15(12)29-14-5-4-13(23)21(14)20/h7-14,17,26,28-29H,6,15H2,1-5H3,(H,30,31);7-10,13-14,22-23H,4-6,11-12,15H2,1-3H3;6-11,20-21,24H,1,12H2,2-5H3;6-9,14,20-21H,4-5,10H2,1-3H3.

What are the key properties of 8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one?

8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one has a molecular weight of 1746.00 g/mol, XLogP of 15.18, 20 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(dimethylamino)phenyl]-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol;ethyl 8-(4-methoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate;1-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]-2-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine;8-(3,4,5-trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one is sourced from PubChem (CID 157092777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).