(4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene

C24H30O6 — CID 11943663

IUPAC(4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
SMILESCOc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@H]2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H30O6/c1-25-19-12-16-15-8-6-7-9-18(15)30-23(17(16)13-20(19)26-2)14-10-21(27-3)24(29-5)22(11-14)28-4/h10-13,15,18,23H,6-9H2,1-5H3/t15-,18-,23-/m0/s1
InChIKeyMIDMTBZLZSFHQP-WIRVKHDMSA-N
MW414.50 g/mol
LogP4.88
Rot. Bonds6

About (4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene

(4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene (PubChem CID 11943663) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is (4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene.

Molecular Properties

Compound Name(4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
PubChem CID11943663
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name(4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
SMILESCOc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@H]2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C24H30O6/c1-25-19-12-16-15-8-6-7-9-18(15)30-23(17(16)13-20(19)26-2)14-10-21(27-3)24(29-5)22(11-14)28-4/h10-13,15,18,23H,6-9H2,1-5H3/t15-,18-,23-/m0/s1
InChIKeyMIDMTBZLZSFHQP-WIRVKHDMSA-N
XLogP4.88
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene with MolForge

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Related Compounds

(4R,5aR,9aS)-4-(3,4,5-trimethoxyphenyl)-5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromene
CID 7357398
(4aR,6S,10bR)-6-(3-fluorophenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
CID 11899610
6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
CID 5305593
(4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
CID 7357039
methyl 4-[(4aS,6S,10bS)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-6-yl]benzoate
CID 7359699
6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene
CID 5306966
(2S,5R)-2-methyl-5-(3,4,5-trimethoxyphenyl)oxolane
CID 142954682
(2S,4S,6R)-4-bromo-2-cyclohexyl-6-(3,4,5-trimethoxyphenyl)oxane
CID 101488058
1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene
CID 15004762
(1R,2R,4S,5S)-2,4-bis(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one
CID 71473110
cyclohexyl-(3,4,5-trimethoxyphenyl)methanol
CID 63895814
(4S,5aS,9aS)-4-(4-methoxyphenyl)-2-methyl-5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromene
CID 98683032

Frequently Asked Questions

What is the IUPAC name of (4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene?
The IUPAC name of (4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene (CID 11943663) is (4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene.
What is the SMILES notation for (4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene?
The canonical SMILES for (4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene is COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@H]2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene?
The InChIKey is MIDMTBZLZSFHQP-WIRVKHDMSA-N. The full InChI is InChI=1S/C24H30O6/c1-25-19-12-16-15-8-6-7-9-18(15)30-23(17(16)13-20(19)26-2)14-10-21(27-3)24(29-5)22(11-14)28-4/h10-13,15,18,23H,6-9H2,1-5H3/t15-,18-,23-/m0/s1.
What are the key properties of (4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene?
(4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene has a molecular weight of 414.50 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6S,10bS)-8,9-dimethoxy-6-(3,4,5-trimethoxyphenyl)-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene is sourced from PubChem (CID 11943663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).