1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol

C19H23NO2 — CID 5108927

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCOc1ccc(C(C)C)cc1C1NCCc2cc(O)ccc21
InChIInChI=1S/C19H23NO2/c1-12(2)13-4-7-18(22-3)17(11-13)19-16-6-5-15(21)10-14(16)8-9-20-19/h4-7,10-12,19-21H,8-9H2,1-3H3
InChIKeyPEOVPSVWVPHRPZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.76
Rot. Bonds3

About 1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol

1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol (PubChem CID 5108927) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
PubChem CID5108927
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
SMILESCOc1ccc(C(C)C)cc1C1NCCc2cc(O)ccc21
InChIInChI=1S/C19H23NO2/c1-12(2)13-4-7-18(22-3)17(11-13)19-16-6-5-15(21)10-14(16)8-9-20-19/h4-7,10-12,19-21H,8-9H2,1-3H3
InChIKeyPEOVPSVWVPHRPZ-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543736
1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106780917
1-(5-tert-butyl-2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 3923460
(1R)-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 7047806
1-(4-methoxy-2,3-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 3953203
1-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4274829
1-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3969108
6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3623232
3-(2-methoxy-5-propan-2-ylphenyl)azetidine
CID 82283096
ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 145379970
1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4287883
6-methoxy-7-phenylmethoxy-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3487799

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol (CID 5108927) is 1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol is COc1ccc(C(C)C)cc1C1NCCc2cc(O)ccc21.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
The InChIKey is PEOVPSVWVPHRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12(2)13-4-7-18(22-3)17(11-13)19-16-6-5-15(21)10-14(16)8-9-20-19/h4-7,10-12,19-21H,8-9H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol?
1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol has a molecular weight of 297.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol is sourced from PubChem (CID 5108927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).