1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol

C22H24BrNO3 — CID 22343895

IUPAC1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(Br)c1)=NC(C)(C)C2O
InChIInChI=1S/C22H24BrNO3/c1-21(2)11-15-17-14(10-16(26-5)19(15)27-21)20(25)22(3,4)24-18(17)12-7-6-8-13(23)9-12/h6-10,20,25H,11H2,1-5H3
InChIKeyWVZLMUNWJOXIJH-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.83
Rot. Bonds2

About 1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol

1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol (PubChem CID 22343895) has the molecular formula C22H24BrNO3 and a molecular weight of 430.34 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol
PubChem CID22343895
Molecular FormulaC22H24BrNO3
Molecular Weight430.34 g/mol
Exact Mass429.09
IUPAC Name1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(Br)c1)=NC(C)(C)C2O
InChIInChI=1S/C22H24BrNO3/c1-21(2)11-15-17-14(10-16(26-5)19(15)27-21)20(25)22(3,4)24-18(17)12-7-6-8-13(23)9-12/h6-10,20,25H,11H2,1-5H3
InChIKeyWVZLMUNWJOXIJH-UHFFFAOYSA-N
XLogP4.83
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol with MolForge

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Related Compounds

6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343964
2-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-methylpropanoic acid
CID 22343838
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343940
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-(6-methoxy-3,3,8,8-tetramethyl-4-oxo-9H-furo[2,3-h]isoquinolin-1-yl)benzamide
CID 22343792
3-amino-N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]propanamide
CID 23076991
N-[4-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]phenyl]methanesulfonamide
CID 22344007
N'-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]butanediamide
CID 23076756
1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one
CID 22344067
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzamide
CID 22344223
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
ethyl N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-N-pyridin-2-ylcarbamate
CID 91472026

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol?
The IUPAC name of 1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol (CID 22343895) is 1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol.
What is the SMILES notation for 1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol?
The canonical SMILES for 1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol is COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(Br)c1)=NC(C)(C)C2O.
What is the InChIKey of 1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol?
The InChIKey is WVZLMUNWJOXIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrNO3/c1-21(2)11-15-17-14(10-16(26-5)19(15)27-21)20(25)22(3,4)24-18(17)12-7-6-8-13(23)9-12/h6-10,20,25H,11H2,1-5H3.
What are the key properties of 1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol?
1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol has a molecular weight of 430.34 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-4-ol is sourced from PubChem (CID 22343895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).