2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol

C24H30O5 — CID 122368708

IUPAC2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
SMILESCc1cc(Oc2cc(C)cc3c2C[C@H](C(C)(C)O)O3)c2c(c1)O[C@@H](C(C)(C)O)C2
InChIInChI=1S/C24H30O5/c1-13-7-17(15-11-21(23(3,4)25)28-19(15)9-13)27-18-8-14(2)10-20-16(18)12-22(29-20)24(5,6)26/h7-10,21-22,25-26H,11-12H2,1-6H3/t21-,22-/m1/s1
InChIKeyXBQWKMGDQPZNKX-FGZHOGPDSA-N
MW398.50 g/mol
LogP4.24
Rot. Bonds4

About 2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol

2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol (PubChem CID 122368708) has the molecular formula C24H30O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
PubChem CID122368708
Molecular FormulaC24H30O5
Molecular Weight398.50 g/mol
Exact Mass398.21
IUPAC Name2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol
SMILESCc1cc(Oc2cc(C)cc3c2C[C@H](C(C)(C)O)O3)c2c(c1)O[C@@H](C(C)(C)O)C2
InChIInChI=1S/C24H30O5/c1-13-7-17(15-11-21(23(3,4)25)28-19(15)9-13)27-18-8-14(2)10-20-16(18)12-22(29-20)24(5,6)26/h7-10,21-22,25-26H,11-12H2,1-6H3/t21-,22-/m1/s1
InChIKeyXBQWKMGDQPZNKX-FGZHOGPDSA-N
XLogP4.24
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol (CID 122368708) is 2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol is Cc1cc(Oc2cc(C)cc3c2C[C@H](C(C)(C)O)O3)c2c(c1)O[C@@H](C(C)(C)O)C2.
What is the InChIKey of 2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
The InChIKey is XBQWKMGDQPZNKX-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H30O5/c1-13-7-17(15-11-21(23(3,4)25)28-19(15)9-13)27-18-8-14(2)10-20-16(18)12-22(29-20)24(5,6)26/h7-10,21-22,25-26H,11-12H2,1-6H3/t21-,22-/m1/s1.
What are the key properties of 2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol?
2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol has a molecular weight of 398.50 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy]-6-methyl-2,3-dihydro-1-benzofuran-2-yl]propan-2-ol is sourced from PubChem (CID 122368708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).