4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one

C22H19NO3 — CID 12694474

IUPAC4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc(C2C(O)c3ccccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-26-17-13-11-15(12-14-17)20-21(24)18-9-5-6-10-19(18)22(25)23(20)16-7-3-2-4-8-16/h2-14,20-21,24H,1H3
InChIKeyGCGHQQNKIRIWJK-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.13
Rot. Bonds3

About 4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one

4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one (PubChem CID 12694474) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
PubChem CID12694474
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one
SMILESCOc1ccc(C2C(O)c3ccccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-26-17-13-11-15(12-14-17)20-21(24)18-9-5-6-10-19(18)22(25)23(20)16-7-3-2-4-8-16/h2-14,20-21,24H,1H3
InChIKeyGCGHQQNKIRIWJK-UHFFFAOYSA-N
XLogP4.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-hydroxy-2,3-diphenyl-3,4-dihydroisoquinolin-1-one
CID 12694467
(3R,4R)-3-(4-methoxyphenyl)-1-oxo-2-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 118560922
2-(4-methoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
CID 118560901
(3R,4R)-2,3-bis(4-methoxyphenyl)-N,N-dimethyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 129160416
sodium (3R,4S)-2-(4-methoxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylate
CID 129160423
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
(3S,4R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate
CID 8003279
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3R,4R)-4-(4-benzylpiperazine-1-carbonyl)-2,3-bis(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one
CID 98177821
3-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-1-oxo-2-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 129160428
2,3-bis(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 15995070
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one (CID 12694474) is 4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one is COc1ccc(C2C(O)c3ccccc3C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is GCGHQQNKIRIWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-26-17-13-11-15(12-14-17)20-21(24)18-9-5-6-10-19(18)22(25)23(20)16-7-3-2-4-8-16/h2-14,20-21,24H,1H3.
What are the key properties of 4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one?
4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 345.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 12694474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).