3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine

C35H32O4 — CID 141214910

IUPAC3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine
SMILESc1ccc2c(c1)CCC(C1(C3Cc4ccccc4O3)Oc3ccccc3OC1C1CCCc3ccccc31)O2
InChIInChI=1S/C35H32O4/c1-4-14-26-23(10-1)13-9-15-27(26)34-35(39-31-19-8-7-18-30(31)38-34,33-22-25-12-3-6-17-29(25)37-33)32-21-20-24-11-2-5-16-28(24)36-32/h1-8,10-12,14,16-19,27,32-34H,9,13,15,20-22H2
InChIKeyYREKTMOUPGSCNW-UHFFFAOYSA-N
MW516.64 g/mol
LogP7.08
Rot. Bonds3

About 3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine

3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine (PubChem CID 141214910) has the molecular formula C35H32O4 and a molecular weight of 516.64 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine
PubChem CID141214910
Molecular FormulaC35H32O4
Molecular Weight516.64 g/mol
Exact Mass516.23
IUPAC Name3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine
SMILESc1ccc2c(c1)CCC(C1(C3Cc4ccccc4O3)Oc3ccccc3OC1C1CCCc3ccccc31)O2
InChIInChI=1S/C35H32O4/c1-4-14-26-23(10-1)13-9-15-27(26)34-35(39-31-19-8-7-18-30(31)38-34,33-22-25-12-3-6-17-29(25)37-33)32-21-20-24-11-2-5-16-28(24)36-32/h1-8,10-12,14,16-19,27,32-34H,9,13,15,20-22H2
InChIKeyYREKTMOUPGSCNW-UHFFFAOYSA-N
XLogP7.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine (CID 141214910) is 3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine is c1ccc2c(c1)CCC(C1(C3Cc4ccccc4O3)Oc3ccccc3OC1C1CCCc3ccccc31)O2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine?
The InChIKey is YREKTMOUPGSCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32O4/c1-4-14-26-23(10-1)13-9-15-27(26)34-35(39-31-19-8-7-18-30(31)38-34,33-22-25-12-3-6-17-29(25)37-33)32-21-20-24-11-2-5-16-28(24)36-32/h1-8,10-12,14,16-19,27,32-34H,9,13,15,20-22H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine?
3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine has a molecular weight of 516.64 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine is sourced from PubChem (CID 141214910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).