6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane]

C26H31NO3 — CID 22343932

IUPAC6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane]
SMILESCOc1ccc(C2=NC3(CCCCC3)Cc3cc(OC)c4c(c32)CC(C)(C)O4)cc1
InChIInChI=1S/C26H31NO3/c1-25(2)16-20-22-18(14-21(29-4)24(20)30-25)15-26(12-6-5-7-13-26)27-23(22)17-8-10-19(28-3)11-9-17/h8-11,14H,5-7,12-13,15-16H2,1-4H3
InChIKeyJUIOTOJUQNYXKQ-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.51
Rot. Bonds3

About 6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane]

6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane] (PubChem CID 22343932) has the molecular formula C26H31NO3 and a molecular weight of 405.54 g/mol. Its IUPAC name is 6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane].

Molecular Properties

Compound Name6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane]
PubChem CID22343932
Molecular FormulaC26H31NO3
Molecular Weight405.54 g/mol
Exact Mass405.23
IUPAC Name6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane]
SMILESCOc1ccc(C2=NC3(CCCCC3)Cc3cc(OC)c4c(c32)CC(C)(C)O4)cc1
InChIInChI=1S/C26H31NO3/c1-25(2)16-20-22-18(14-21(29-4)24(20)30-25)15-26(12-6-5-7-13-26)27-23(22)17-8-10-19(28-3)11-9-17/h8-11,14H,5-7,12-13,15-16H2,1-4H3
InChIKeyJUIOTOJUQNYXKQ-UHFFFAOYSA-N
XLogP5.51
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane] with MolForge

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Related Compounds

6-methoxy-3,3,8,8-tetramethyl-1-(4-methylsulfinylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343852
6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343946
1-(1,3-benzodioxol-5-yl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
CID 22344037
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343964
6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343794
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343940
1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343871
N-[4-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]phenyl]methanesulfonamide
CID 22344007
2-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-methylpropanoic acid
CID 22343838
1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one
CID 22344067
methyl 2-(4-acetamidophenyl)-4-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzoate
CID 139959628
6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22344342

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane]?
The IUPAC name of 6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane] (CID 22343932) is 6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane].
What is the SMILES notation for 6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane]?
The canonical SMILES for 6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane] is COc1ccc(C2=NC3(CCCCC3)Cc3cc(OC)c4c(c32)CC(C)(C)O4)cc1.
What is the InChIKey of 6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane]?
The InChIKey is JUIOTOJUQNYXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO3/c1-25(2)16-20-22-18(14-21(29-4)24(20)30-25)15-26(12-6-5-7-13-26)27-23(22)17-8-10-19(28-3)11-9-17/h8-11,14H,5-7,12-13,15-16H2,1-4H3.
What are the key properties of 6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane]?
6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane] has a molecular weight of 405.54 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane] is sourced from PubChem (CID 22343932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).