(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone

C17H15NO4 — CID 134868927

IUPAC(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone
SMILESCOc1cc2c(cc1O)C(C(=O)c1cccc(O)c1)=NCC2
InChIInChI=1S/C17H15NO4/c1-22-15-8-10-5-6-18-16(13(10)9-14(15)20)17(21)11-3-2-4-12(19)7-11/h2-4,7-9,19-20H,5-6H2,1H3
InChIKeyPOZKGFNPXIGAIN-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.33
Rot. Bonds3

About (7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone

(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone (PubChem CID 134868927) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone
PubChem CID134868927
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone
SMILESCOc1cc2c(cc1O)C(C(=O)c1cccc(O)c1)=NCC2
InChIInChI=1S/C17H15NO4/c1-22-15-8-10-5-6-18-16(13(10)9-14(15)20)17(21)11-3-2-4-12(19)7-11/h2-4,7-9,19-20H,5-6H2,1H3
InChIKeyPOZKGFNPXIGAIN-UHFFFAOYSA-N
XLogP2.33
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone
CID 11025506
(2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone
CID 10568385
(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-[4-[5-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methanone
CID 162883977
6-methoxy-1-(2-phenylethyl)-3,4-dihydroisoquinolin-7-ol
CID 91664980
7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol
CID 605727
ethyl 6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline-1-carboxylate
CID 134869084
(2-bromo-3,4-dimethoxyphenyl)-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanone
CID 10740711
(Z)-3-(3-hydroxy-4-methoxyphenyl)-2-(3-hydroxyphenyl)prop-2-enoic acid
CID 83950599
(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 59116114
3-methoxy-9,10-dihydrophenanthren-2-ol
CID 14386782
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone
CID 163828161
(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459023

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone?
The IUPAC name of (7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone (CID 134868927) is (7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone.
What is the SMILES notation for (7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone?
The canonical SMILES for (7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone is COc1cc2c(cc1O)C(C(=O)c1cccc(O)c1)=NCC2.
What is the InChIKey of (7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone?
The InChIKey is POZKGFNPXIGAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-22-15-8-10-5-6-18-16(13(10)9-14(15)20)17(21)11-3-2-4-12(19)7-11/h2-4,7-9,19-20H,5-6H2,1H3.
What are the key properties of (7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone?
(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone has a molecular weight of 297.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 134868927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).