6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran

C22H36O3 — CID 54367565

IUPAC6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran
SMILESCOC(C)(C)CCCC(C)CC(C)Oc1ccc2c(c1)OCC2(C)C
InChIInChI=1S/C22H36O3/c1-16(9-8-12-22(5,6)23-7)13-17(2)25-18-10-11-19-20(14-18)24-15-21(19,3)4/h10-11,14,16-17H,8-9,12-13,15H2,1-7H3
InChIKeyUQVIMJUFZZWVGL-UHFFFAOYSA-N
MW348.53 g/mol
LogP5.75
Rot. Bonds9

About 6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran

6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran (PubChem CID 54367565) has the molecular formula C22H36O3 and a molecular weight of 348.53 g/mol. Its IUPAC name is 6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran.

Molecular Properties

Compound Name6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran
PubChem CID54367565
Molecular FormulaC22H36O3
Molecular Weight348.53 g/mol
Exact Mass348.27
IUPAC Name6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran
SMILESCOC(C)(C)CCCC(C)CC(C)Oc1ccc2c(c1)OCC2(C)C
InChIInChI=1S/C22H36O3/c1-16(9-8-12-22(5,6)23-7)13-17(2)25-18-10-11-19-20(14-18)24-15-21(19,3)4/h10-11,14,16-17H,8-9,12-13,15H2,1-7H3
InChIKeyUQVIMJUFZZWVGL-UHFFFAOYSA-N
XLogP5.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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L-759,633
CID 5311215
Homopterocarpin
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(+)-Medicarpin
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Isomedicarpin
CID 13803637
Jwh-229
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9-methoxy-6a,11a-dihydro-6H-(1)benzofuro(3,2-c)chromen-3-ol
CID 623060
6-Benzyloxy-2,3-dihydro-benzofuran
CID 18005853
Npc199963
CID 454892
Cyclopenta(c)(1)benzopyran-9-ol, 1,2,3,4-tetrahydro-7-(1,2-dimethylheptyl)-2,2,4,4-tetramethyl-
CID 3043681
2,6,6-Trimethyl-4-(2,4,6-trimethoxyphenyl)bicyclo[3.1.1]hept-2-ene
CID 11834664
6,7-Dimethoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 226647

Frequently Asked Questions

What is the IUPAC name of 6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran?
The IUPAC name of 6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran (CID 54367565) is 6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran.
What is the SMILES notation for 6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran?
The canonical SMILES for 6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran is COC(C)(C)CCCC(C)CC(C)Oc1ccc2c(c1)OCC2(C)C.
What is the InChIKey of 6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran?
The InChIKey is UQVIMJUFZZWVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36O3/c1-16(9-8-12-22(5,6)23-7)13-17(2)25-18-10-11-19-20(14-18)24-15-21(19,3)4/h10-11,14,16-17H,8-9,12-13,15H2,1-7H3.
What are the key properties of 6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran?
6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran has a molecular weight of 348.53 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-methoxy-4,8-dimethylnonan-2-yl)oxy-3,3-dimethyl-2H-1-benzofuran is sourced from PubChem (CID 54367565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).