1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone

C17H17NO2 — CID 56875605

IUPAC1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone
SMILESCC(=O)c1cc(-c2cccc3c2CCNC3)ccc1O
InChIInChI=1S/C17H17NO2/c1-11(19)16-9-12(5-6-17(16)20)14-4-2-3-13-10-18-8-7-15(13)14/h2-6,9,18,20H,7-8,10H2,1H3
InChIKeySOGNQIMGIJELLJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.91
Rot. Bonds2

About 1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone

1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone (PubChem CID 56875605) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone
PubChem CID56875605
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone
SMILESCC(=O)c1cc(-c2cccc3c2CCNC3)ccc1O
InChIInChI=1S/C17H17NO2/c1-11(19)16-9-12(5-6-17(16)20)14-4-2-3-13-10-18-8-7-15(13)14/h2-6,9,18,20H,7-8,10H2,1H3
InChIKeySOGNQIMGIJELLJ-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 56875194
4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol
CID 56862165
N-[(1S)-1-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethyl]acetamide
CID 95556788
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
CID 95554001
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one
CID 56869022
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzoic acid
CID 56874025
1-[2-hydroxy-5-(2-methoxyphenyl)phenyl]ethanone
CID 23004893
6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinazolin-4-amine
CID 56864814
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
4-chloro-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzoic acid
CID 56866256

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone (CID 56875605) is 1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone is CC(=O)c1cc(-c2cccc3c2CCNC3)ccc1O.
What is the InChIKey of 1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone?
The InChIKey is SOGNQIMGIJELLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11(19)16-9-12(5-6-17(16)20)14-4-2-3-13-10-18-8-7-15(13)14/h2-6,9,18,20H,7-8,10H2,1H3.
What are the key properties of 1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone?
1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone has a molecular weight of 267.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone is sourced from PubChem (CID 56875605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).