6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene

C27H26O4 — CID 5305593

IUPAC6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
SMILESCOc1cc2c(cc1OC)C1CCCCC1OC2c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C27H26O4/c1-28-25-14-19-17-7-3-6-10-23(17)31-27(21(19)15-26(25)29-2)16-11-12-24-20(13-16)18-8-4-5-9-22(18)30-24/h4-5,8-9,11-15,17,23,27H,3,6-7,10H2,1-2H3
InChIKeyBWCLFDYZBYENDD-UHFFFAOYSA-N
MW414.50 g/mol
LogP6.75
Rot. Bonds3

About 6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene

6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene (PubChem CID 5305593) has the molecular formula C27H26O4 and a molecular weight of 414.50 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene.

Molecular Properties

Compound Name6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
PubChem CID5305593
Molecular FormulaC27H26O4
Molecular Weight414.50 g/mol
Exact Mass414.18
IUPAC Name6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene
SMILESCOc1cc2c(cc1OC)C1CCCCC1OC2c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C27H26O4/c1-28-25-14-19-17-7-3-6-10-23(17)31-27(21(19)15-26(25)29-2)16-11-12-24-20(13-16)18-8-4-5-9-22(18)30-24/h4-5,8-9,11-15,17,23,27H,3,6-7,10H2,1-2H3
InChIKeyBWCLFDYZBYENDD-UHFFFAOYSA-N
XLogP6.75
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene?
The IUPAC name of 6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene (CID 5305593) is 6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene.
What is the SMILES notation for 6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene?
The canonical SMILES for 6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene is COc1cc2c(cc1OC)C1CCCCC1OC2c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene?
The InChIKey is BWCLFDYZBYENDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O4/c1-28-25-14-19-17-7-3-6-10-23(17)31-27(21(19)15-26(25)29-2)16-11-12-24-20(13-16)18-8-4-5-9-22(18)30-24/h4-5,8-9,11-15,17,23,27H,3,6-7,10H2,1-2H3.
What are the key properties of 6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene?
6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene has a molecular weight of 414.50 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-2-yl-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromene is sourced from PubChem (CID 5305593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).