(4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene

C23H28O5 — CID 7357039

IUPAC(4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
SMILESCOc1ccc(OC)c([C@@H]2O[C@@H]3CCCC[C@@H]3c3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C23H28O5/c1-24-14-9-10-19(25-2)18(11-14)23-17-13-22(27-4)21(26-3)12-16(17)15-7-5-6-8-20(15)28-23/h9-13,15,20,23H,5-8H2,1-4H3/t15-,20-,23-/m1/s1
InChIKeyHUVLGXCTVIMPTE-ZFUCPZCZSA-N
MW384.47 g/mol
LogP4.87
Rot. Bonds5

About (4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene

(4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene (PubChem CID 7357039) has the molecular formula C23H28O5 and a molecular weight of 384.47 g/mol. Its IUPAC name is (4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene.

Molecular Properties

Compound Name(4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
PubChem CID7357039
Molecular FormulaC23H28O5
Molecular Weight384.47 g/mol
Exact Mass384.19
IUPAC Name(4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
SMILESCOc1ccc(OC)c([C@@H]2O[C@@H]3CCCC[C@@H]3c3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C23H28O5/c1-24-14-9-10-19(25-2)18(11-14)23-17-13-22(27-4)21(26-3)12-16(17)15-7-5-6-8-20(15)28-23/h9-13,15,20,23H,5-8H2,1-4H3/t15-,20-,23-/m1/s1
InChIKeyHUVLGXCTVIMPTE-ZFUCPZCZSA-N
XLogP4.87
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene with MolForge

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Related Compounds

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CID 11943663
(4aR,6S,10bR)-6-(3-fluorophenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
CID 11899610
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
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methyl 4-[(4aS,6S,10bS)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-6-yl]benzoate
CID 7359699
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3-(2,5-dimethoxyphenyl)cycloheptan-1-amine
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2-(2,5-dimethoxyphenyl)azetidine
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Frequently Asked Questions

What is the IUPAC name of (4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene?
The IUPAC name of (4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene (CID 7357039) is (4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene.
What is the SMILES notation for (4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene?
The canonical SMILES for (4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene is COc1ccc(OC)c([C@@H]2O[C@@H]3CCCC[C@@H]3c3cc(OC)c(OC)cc32)c1.
What is the InChIKey of (4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene?
The InChIKey is HUVLGXCTVIMPTE-ZFUCPZCZSA-N. The full InChI is InChI=1S/C23H28O5/c1-24-14-9-10-19(25-2)18(11-14)23-17-13-22(27-4)21(26-3)12-16(17)15-7-5-6-8-20(15)28-23/h9-13,15,20,23H,5-8H2,1-4H3/t15-,20-,23-/m1/s1.
What are the key properties of (4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene?
(4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene has a molecular weight of 384.47 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6R,10bR)-6-(2,5-dimethoxyphenyl)-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene is sourced from PubChem (CID 7357039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).