8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol

C27H31NO5 — CID 71280828

IUPAC8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1ccc(-c2c(O)c(OC)cc3c2CN(CCc2ccccc2OC)CC3)c(OC)c1
InChIInChI=1S/C27H31NO5/c1-30-20-9-10-21(24(16-20)32-3)26-22-17-28(13-11-18-7-5-6-8-23(18)31-2)14-12-19(22)15-25(33-4)27(26)29/h5-10,15-16,29H,11-14,17H2,1-4H3
InChIKeyJHJQTEURWDYHSM-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.69
Rot. Bonds8

About 8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol

8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 71280828) has the molecular formula C27H31NO5 and a molecular weight of 449.55 g/mol. Its IUPAC name is 8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID71280828
Molecular FormulaC27H31NO5
Molecular Weight449.55 g/mol
Exact Mass449.22
IUPAC Name8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1ccc(-c2c(O)c(OC)cc3c2CN(CCc2ccccc2OC)CC3)c(OC)c1
InChIInChI=1S/C27H31NO5/c1-30-20-9-10-21(24(16-20)32-3)26-22-17-28(13-11-18-7-5-6-8-23(18)31-2)14-12-19(22)15-25(33-4)27(26)29/h5-10,15-16,29H,11-14,17H2,1-4H3
InChIKeyJHJQTEURWDYHSM-UHFFFAOYSA-N
XLogP4.69
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 71281246
6-methoxy-8-(4-methylthiophen-2-yl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 71281106
1-[2-(2-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 106260471
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
CID 83824146
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
6,7-dimethoxy-2-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]-3,4-dihydro-1H-isoquinoline
CID 25156686
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
N-[2-[(2-hydroxy-5-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
CID 42362175
2-[2-(4-fluorophenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453579
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol (CID 71280828) is 8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol is COc1ccc(-c2c(O)c(OC)cc3c2CN(CCc2ccccc2OC)CC3)c(OC)c1.
What is the InChIKey of 8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is JHJQTEURWDYHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO5/c1-30-20-9-10-21(24(16-20)32-3)26-22-17-28(13-11-18-7-5-6-8-23(18)31-2)14-12-19(22)15-25(33-4)27(26)29/h5-10,15-16,29H,11-14,17H2,1-4H3.
What are the key properties of 8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol?
8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 449.55 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethoxyphenyl)-6-methoxy-2-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 71280828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).