1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

C18H21NO2 — CID 106543727

IUPAC1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCC(C)Oc1ccc(C2NCCc3ccc(O)cc32)cc1
InChIInChI=1S/C18H21NO2/c1-12(2)21-16-7-4-14(5-8-16)18-17-11-15(20)6-3-13(17)9-10-19-18/h3-8,11-12,18-20H,9-10H2,1-2H3
InChIKeyVPTGTBZEGYKBNP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 106543727) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID106543727
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCC(C)Oc1ccc(C2NCCc3ccc(O)cc32)cc1
InChIInChI=1S/C18H21NO2/c1-12(2)21-16-7-4-14(5-8-16)18-17-11-15(20)6-3-13(17)9-10-19-18/h3-8,11-12,18-20H,9-10H2,1-2H3
InChIKeyVPTGTBZEGYKBNP-UHFFFAOYSA-N
XLogP3.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543718
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543748
1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 62373597
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
(1R)-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 7047806
4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737041
1-[4-(dimethylamino)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4983618
1-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543736
1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106778678
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
1-(4-methoxybutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106781284

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 106543727) is 1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol is CC(C)Oc1ccc(C2NCCc3ccc(O)cc32)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is VPTGTBZEGYKBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12(2)21-16-7-4-14(5-8-16)18-17-11-15(20)6-3-13(17)9-10-19-18/h3-8,11-12,18-20H,9-10H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 283.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 106543727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).