7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol

C22H23NO2S — CID 175409087

IUPAC7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN(CCc1ccc(-c3ccccc3)s1)C2
InChIInChI=1S/C22H23NO2S/c1-25-21-14-18-15-23(11-9-17(18)13-20(21)24)12-10-19-7-8-22(26-19)16-5-3-2-4-6-16/h2-8,13-14,24H,9-12,15H2,1H3
InChIKeyHGFXQKXSLJTDHH-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.73
Rot. Bonds5

About 7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol

7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 175409087) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID175409087
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN(CCc1ccc(-c3ccccc3)s1)C2
InChIInChI=1S/C22H23NO2S/c1-25-21-14-18-15-23(11-9-17(18)13-20(21)24)12-10-19-7-8-22(26-19)16-5-3-2-4-6-16/h2-8,13-14,24H,9-12,15H2,1H3
InChIKeyHGFXQKXSLJTDHH-UHFFFAOYSA-N
XLogP4.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409118
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
2-[2-(4-fluorophenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453579
7-methoxy-2-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409105
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 91227364
2-[3-(3-chlorophenyl)prop-2-ynyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 68917206
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpropan-1-ol
CID 11290357
4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 10041227
6-methoxy-8-(4-methoxyphenyl)-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 71281246
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol (CID 175409087) is 7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol is COc1cc2c(cc1O)CCN(CCc1ccc(-c3ccccc3)s1)C2.
What is the InChIKey of 7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is HGFXQKXSLJTDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-25-21-14-18-15-23(11-9-17(18)13-20(21)24)12-10-19-7-8-22(26-19)16-5-3-2-4-6-16/h2-8,13-14,24H,9-12,15H2,1H3.
What are the key properties of 7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol?
7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 365.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 175409087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).