6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol

C26H38O4 — CID 167248074

IUPAC6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol
SMILESCC1Cc2oc(C(C)(C)CCC3(C)Cc4oc(C(C)C)cc4C(O)C3)cc2C(O)C1
InChIInChI=1S/C26H38O4/c1-15(2)21-11-17-20(28)13-26(6,14-23(17)29-21)8-7-25(4,5)24-12-18-19(27)9-16(3)10-22(18)30-24/h11-12,15-16,19-20,27-28H,7-10,13-14H2,1-6H3
InChIKeyQYGZCLSLLHFGQA-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.36
Rot. Bonds5

About 6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol

6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol (PubChem CID 167248074) has the molecular formula C26H38O4 and a molecular weight of 414.59 g/mol. Its IUPAC name is 6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol.

Molecular Properties

Compound Name6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol
PubChem CID167248074
Molecular FormulaC26H38O4
Molecular Weight414.59 g/mol
Exact Mass414.28
IUPAC Name6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol
SMILESCC1Cc2oc(C(C)(C)CCC3(C)Cc4oc(C(C)C)cc4C(O)C3)cc2C(O)C1
InChIInChI=1S/C26H38O4/c1-15(2)21-11-17-20(28)13-26(6,14-23(17)29-21)8-7-25(4,5)24-12-18-19(27)9-16(3)10-22(18)30-24/h11-12,15-16,19-20,27-28H,7-10,13-14H2,1-6H3
InChIKeyQYGZCLSLLHFGQA-UHFFFAOYSA-N
XLogP6.36
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol?
The IUPAC name of 6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol (CID 167248074) is 6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol.
What is the SMILES notation for 6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol?
The canonical SMILES for 6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol is CC1Cc2oc(C(C)(C)CCC3(C)Cc4oc(C(C)C)cc4C(O)C3)cc2C(O)C1.
What is the InChIKey of 6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol?
The InChIKey is QYGZCLSLLHFGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O4/c1-15(2)21-11-17-20(28)13-26(6,14-23(17)29-21)8-7-25(4,5)24-12-18-19(27)9-16(3)10-22(18)30-24/h11-12,15-16,19-20,27-28H,7-10,13-14H2,1-6H3.
What are the key properties of 6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol?
6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol has a molecular weight of 414.59 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-hydroxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)-3-methylbutyl]-6-methyl-2-propan-2-yl-5,7-dihydro-4H-1-benzofuran-4-ol is sourced from PubChem (CID 167248074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).