7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol

C21H27NO4 — CID 46201610

IUPAC7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCCc1cc2c(cc1O)CCN(Cc1cc(OC)c(OC)c(OC)c1)C2
InChIInChI=1S/C21H27NO4/c1-5-15-10-17-13-22(7-6-16(17)11-18(15)23)12-14-8-19(24-2)21(26-4)20(9-14)25-3/h8-11,23H,5-7,12-13H2,1-4H3
InChIKeyGBUMJYFYGCKBHW-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.54
Rot. Bonds6

About 7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol

7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 46201610) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID46201610
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCCc1cc2c(cc1O)CCN(Cc1cc(OC)c(OC)c(OC)c1)C2
InChIInChI=1S/C21H27NO4/c1-5-15-10-17-13-22(7-6-16(17)11-18(15)23)12-14-8-19(24-2)21(26-4)20(9-14)25-3/h8-11,23H,5-7,12-13H2,1-4H3
InChIKeyGBUMJYFYGCKBHW-UHFFFAOYSA-N
XLogP3.54
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol with MolForge

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Related Compounds

2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 91227364
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-iodo-6-methoxyphenol
CID 1376220
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
6,7-dimethoxy-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 3772747
2-bromo-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6-methoxyphenol
CID 2838540
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-iodo-6-methoxyphenol
CID 1375755
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860
6-[(3,4,5-trimethoxyphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24929941
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol (CID 46201610) is 7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol is CCc1cc2c(cc1O)CCN(Cc1cc(OC)c(OC)c(OC)c1)C2.
What is the InChIKey of 7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is GBUMJYFYGCKBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-15-10-17-13-22(7-6-16(17)11-18(15)23)12-14-8-19(24-2)21(26-4)20(9-14)25-3/h8-11,23H,5-7,12-13H2,1-4H3.
What are the key properties of 7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 357.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 46201610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).