(2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran

C26H34O3 — CID 163577350

IUPAC(2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran
SMILESC[C@@H]1Cc2cc(CC(C)(C)O[C@H]3Cc4cc(CC(C)(C)C)ccc4O3)ccc2O1
InChIInChI=1S/C26H34O3/c1-17-11-20-13-19(8-9-22(20)27-17)16-26(5,6)29-24-14-21-12-18(15-25(2,3)4)7-10-23(21)28-24/h7-10,12-13,17,24H,11,14-16H2,1-6H3/t17-,24+/m1/s1
InChIKeyGEQCSNGHTXGMOU-OSPHWJPCSA-N
MW394.56 g/mol
LogP5.90
Rot. Bonds5

About (2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran

(2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran (PubChem CID 163577350) has the molecular formula C26H34O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is (2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran
PubChem CID163577350
Molecular FormulaC26H34O3
Molecular Weight394.56 g/mol
Exact Mass394.25
IUPAC Name(2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran
SMILESC[C@@H]1Cc2cc(CC(C)(C)O[C@H]3Cc4cc(CC(C)(C)C)ccc4O3)ccc2O1
InChIInChI=1S/C26H34O3/c1-17-11-20-13-19(8-9-22(20)27-17)16-26(5,6)29-24-14-21-12-18(15-25(2,3)4)7-10-23(21)28-24/h7-10,12-13,17,24H,11,14-16H2,1-6H3/t17-,24+/m1/s1
InChIKeyGEQCSNGHTXGMOU-OSPHWJPCSA-N
XLogP5.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran (CID 163577350) is (2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran is C[C@@H]1Cc2cc(CC(C)(C)O[C@H]3Cc4cc(CC(C)(C)C)ccc4O3)ccc2O1.
What is the InChIKey of (2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran?
The InChIKey is GEQCSNGHTXGMOU-OSPHWJPCSA-N. The full InChI is InChI=1S/C26H34O3/c1-17-11-20-13-19(8-9-22(20)27-17)16-26(5,6)29-24-14-21-12-18(15-25(2,3)4)7-10-23(21)28-24/h7-10,12-13,17,24H,11,14-16H2,1-6H3/t17-,24+/m1/s1.
What are the key properties of (2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran?
(2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran has a molecular weight of 394.56 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 163577350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).