1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

C19H21NO — CID 106543809

IUPAC1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1ccc2c(c1)C(c1cccc(C3CCC3)c1)NCC2
InChIInChI=1S/C19H21NO/c21-17-8-7-14-9-10-20-19(18(14)12-17)16-6-2-5-15(11-16)13-3-1-4-13/h2,5-8,11-13,19-21H,1,3-4,9-10H2
InChIKeyHEFKUXSHWDHYIQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.89
Rot. Bonds2

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

1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 106543809) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID106543809
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1ccc2c(c1)C(c1cccc(C3CCC3)c1)NCC2
InChIInChI=1S/C19H21NO/c21-17-8-7-14-9-10-20-19(18(14)12-17)16-6-2-5-15(11-16)13-3-1-4-13/h2,5-8,11-13,19-21H,1,3-4,9-10H2
InChIKeyHEFKUXSHWDHYIQ-UHFFFAOYSA-N
XLogP3.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 27108865
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-(3-cyclobutylphenyl)-2,3-dihydro-1H-isoindole
CID 114605983
1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4669937
1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543727
3-phenyl-2,3-dihydro-1H-isoindol-5-ol
CID 84734566
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 83359300
1-(2-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106780917
(1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 93031696
3-cyclohexylphenol
CID 16036

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 106543809) is 1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol is Oc1ccc2c(c1)C(c1cccc(C3CCC3)c1)NCC2.
What is the InChIKey of 1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is HEFKUXSHWDHYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-17-8-7-14-9-10-20-19(18(14)12-17)16-6-2-5-15(11-16)13-3-1-4-13/h2,5-8,11-13,19-21H,1,3-4,9-10H2.
What are the key properties of 1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 279.38 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 106543809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).