2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran

C28H26O3 — CID 15914420

IUPAC2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran
SMILESCOc1ccc(-c2cc3c(o2)CC(c2ccccc2)(c2ccccc2)CC3)cc1OC
InChIInChI=1S/C28H26O3/c1-29-24-14-13-20(18-26(24)30-2)25-17-21-15-16-28(19-27(21)31-25,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,17-18H,15-16,19H2,1-2H3
InChIKeyQVVVTOOQGIPQCU-UHFFFAOYSA-N
MW410.51 g/mol
LogP6.44
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran

2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran (PubChem CID 15914420) has the molecular formula C28H26O3 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran
PubChem CID15914420
Molecular FormulaC28H26O3
Molecular Weight410.51 g/mol
Exact Mass410.19
IUPAC Name2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran
SMILESCOc1ccc(-c2cc3c(o2)CC(c2ccccc2)(c2ccccc2)CC3)cc1OC
InChIInChI=1S/C28H26O3/c1-29-24-14-13-20(18-26(24)30-2)25-17-21-15-16-28(19-27(21)31-25,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,17-18H,15-16,19H2,1-2H3
InChIKeyQVVVTOOQGIPQCU-UHFFFAOYSA-N
XLogP6.44
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran (CID 15914420) is 2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran is COc1ccc(-c2cc3c(o2)CC(c2ccccc2)(c2ccccc2)CC3)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran?
The InChIKey is QVVVTOOQGIPQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O3/c1-29-24-14-13-20(18-26(24)30-2)25-17-21-15-16-28(19-27(21)31-25,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,17-18H,15-16,19H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran?
2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran has a molecular weight of 410.51 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6,6-diphenyl-5,7-dihydro-4H-1-benzofuran is sourced from PubChem (CID 15914420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).