1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

C19H23NO — CID 106543718

IUPAC1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCC(C)(C)c1ccc(C2NCCc3ccc(O)cc32)cc1
InChIInChI=1S/C19H23NO/c1-19(2,3)15-7-4-14(5-8-15)18-17-12-16(21)9-6-13(17)10-11-20-18/h4-9,12,18,20-21H,10-11H2,1-3H3
InChIKeyUVHYXZBNODLHLK-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.92
Rot. Bonds1

About 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 106543718) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID106543718
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCC(C)(C)c1ccc(C2NCCc3ccc(O)cc32)cc1
InChIInChI=1S/C19H23NO/c1-19(2,3)15-7-4-14(5-8-15)18-17-12-16(21)9-6-13(17)10-11-20-18/h4-9,12,18,20-21H,10-11H2,1-3H3
InChIKeyUVHYXZBNODLHLK-UHFFFAOYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543727
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543748
ethane;1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 145379970
1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543809
1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4983618
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
1-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543736
3-phenyl-2,3-dihydro-1H-isoindol-5-ol
CID 84734566
1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106780917
1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4669937
(1R)-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 7047806
1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106778678

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 106543718) is 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol is CC(C)(C)c1ccc(C2NCCc3ccc(O)cc32)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is UVHYXZBNODLHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2,3)15-7-4-14(5-8-15)18-17-12-16(21)9-6-13(17)10-11-20-18/h4-9,12,18,20-21H,10-11H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 281.40 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 106543718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).