2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole

C34H28O3 — CID 90735419

IUPAC2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole
SMILESC1=CC(C2Cc3ccccc3C(C3Cc4ccccc4O3)C2C2Oc3ccccc3O2)c2ccccc21
InChIInChI=1S/C34H28O3/c1-4-12-24-21(9-1)17-18-26(24)27-19-22-10-2-5-13-25(22)32(31-20-23-11-3-6-14-28(23)35-31)33(27)34-36-29-15-7-8-16-30(29)37-34/h1-18,26-27,31-34H,19-20H2
InChIKeyTVJYZLUBOIPFOP-UHFFFAOYSA-N
MW484.60 g/mol
LogP7.17
Rot. Bonds3

About 2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole

2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole (PubChem CID 90735419) has the molecular formula C34H28O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole
PubChem CID90735419
Molecular FormulaC34H28O3
Molecular Weight484.60 g/mol
Exact Mass484.20
IUPAC Name2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole
SMILESC1=CC(C2Cc3ccccc3C(C3Cc4ccccc4O3)C2C2Oc3ccccc3O2)c2ccccc21
InChIInChI=1S/C34H28O3/c1-4-12-24-21(9-1)17-18-26(24)27-19-22-10-2-5-13-25(22)32(31-20-23-11-3-6-14-28(23)35-31)33(27)34-36-29-15-7-8-16-30(29)37-34/h1-18,26-27,31-34H,19-20H2
InChIKeyTVJYZLUBOIPFOP-UHFFFAOYSA-N
XLogP7.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole?
The IUPAC name of 2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole (CID 90735419) is 2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole.
What is the SMILES notation for 2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole?
The canonical SMILES for 2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole is C1=CC(C2Cc3ccccc3C(C3Cc4ccccc4O3)C2C2Oc3ccccc3O2)c2ccccc21.
What is the InChIKey of 2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole?
The InChIKey is TVJYZLUBOIPFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28O3/c1-4-12-24-21(9-1)17-18-26(24)27-19-22-10-2-5-13-25(22)32(31-20-23-11-3-6-14-28(23)35-31)33(27)34-36-29-15-7-8-16-30(29)37-34/h1-18,26-27,31-34H,19-20H2.
What are the key properties of 2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole?
2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole has a molecular weight of 484.60 g/mol, XLogP of 7.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(1H-inden-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,3-benzodioxole is sourced from PubChem (CID 90735419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).