2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene

C24H30O5 — CID 68923240

IUPAC2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene
SMILESCOc1cc(C2=Cc3ccc(OC)c(OC(C)C)c3CCC2)cc(OC)c1OC
InChIInChI=1S/C24H30O5/c1-15(2)29-23-19-9-7-8-16(12-17(19)10-11-20(23)25-3)18-13-21(26-4)24(28-6)22(14-18)27-5/h10-15H,7-9H2,1-6H3
InChIKeyKPBPIRIVJQJBAI-UHFFFAOYSA-N
MW398.50 g/mol
LogP5.39
Rot. Bonds7

About 2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene

2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene (PubChem CID 68923240) has the molecular formula C24H30O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene.

Molecular Properties

Compound Name2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene
PubChem CID68923240
Molecular FormulaC24H30O5
Molecular Weight398.50 g/mol
Exact Mass398.21
IUPAC Name2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene
SMILESCOc1cc(C2=Cc3ccc(OC)c(OC(C)C)c3CCC2)cc(OC)c1OC
InChIInChI=1S/C24H30O5/c1-15(2)29-23-19-9-7-8-16(12-17(19)10-11-20(23)25-3)18-13-21(26-4)24(28-6)22(14-18)27-5/h10-15H,7-9H2,1-6H3
InChIKeyKPBPIRIVJQJBAI-UHFFFAOYSA-N
XLogP5.39
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene?
The IUPAC name of 2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene (CID 68923240) is 2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene.
What is the SMILES notation for 2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene?
The canonical SMILES for 2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene is COc1cc(C2=Cc3ccc(OC)c(OC(C)C)c3CCC2)cc(OC)c1OC.
What is the InChIKey of 2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene?
The InChIKey is KPBPIRIVJQJBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O5/c1-15(2)29-23-19-9-7-8-16(12-17(19)10-11-20(23)25-3)18-13-21(26-4)24(28-6)22(14-18)27-5/h10-15H,7-9H2,1-6H3.
What are the key properties of 2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene?
2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene has a molecular weight of 398.50 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-propan-2-yloxy-6-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-benzo[7]annulene is sourced from PubChem (CID 68923240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).