6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol

C25H27NO3 — CID 71281246

IUPAC6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1ccc(-c2c(O)c(OC)cc3c2CN(CCc2ccccc2)CC3)cc1
InChIInChI=1S/C25H27NO3/c1-28-21-10-8-19(9-11-21)24-22-17-26(14-12-18-6-4-3-5-7-18)15-13-20(22)16-23(29-2)25(24)27/h3-11,16,27H,12-15,17H2,1-2H3
InChIKeyBJSJQVGKHASILG-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.68
Rot. Bonds6

About 6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol

6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 71281246) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID71281246
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1ccc(-c2c(O)c(OC)cc3c2CN(CCc2ccccc2)CC3)cc1
InChIInChI=1S/C25H27NO3/c1-28-21-10-8-19(9-11-21)24-22-17-26(14-12-18-6-4-3-5-7-18)15-13-20(22)16-23(29-2)25(24)27/h3-11,16,27H,12-15,17H2,1-2H3
InChIKeyBJSJQVGKHASILG-UHFFFAOYSA-N
XLogP4.68
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol with MolForge

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Related Compounds

6-methoxy-8-(4-methylthiophen-2-yl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 71281106
8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol
CID 71280828
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
2-[2-(4-fluorophenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453579
4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 10041227
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
2-[2-(4-bromophenyl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol
CID 141119514
6-methoxy-8-phenyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 153406501
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
(9R)-4,16-dimethoxy-10-methyl-9-(2-phenylethyl)-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol
CID 12941253
6,7-dimethoxy-2-[2-[6-(4-methoxyphenyl)-2H-chromen-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 118719374
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 45104052

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol (CID 71281246) is 6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol is COc1ccc(-c2c(O)c(OC)cc3c2CN(CCc2ccccc2)CC3)cc1.
What is the InChIKey of 6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is BJSJQVGKHASILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-28-21-10-8-19(9-11-21)24-22-17-26(14-12-18-6-4-3-5-7-18)15-13-20(22)16-23(29-2)25(24)27/h3-11,16,27H,12-15,17H2,1-2H3.
What are the key properties of 6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol?
6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 389.50 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 71281246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).