3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol

C18H21NO — CID 102338667

IUPAC3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol
SMILESCN1Cc2ccccc2C(O)C1(C)Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-18(12-14-8-4-3-5-9-14)17(20)16-11-7-6-10-15(16)13-19(18)2/h3-11,17,20H,12-13H2,1-2H3
InChIKeyCKWGAIRSLYGCJC-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.17
Rot. Bonds2

About 3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol

3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol (PubChem CID 102338667) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol.

Molecular Properties

Compound Name3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol
PubChem CID102338667
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol
SMILESCN1Cc2ccccc2C(O)C1(C)Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-18(12-14-8-4-3-5-9-14)17(20)16-11-7-6-10-15(16)13-19(18)2/h3-11,17,20H,12-13H2,1-2H3
InChIKeyCKWGAIRSLYGCJC-UHFFFAOYSA-N
XLogP3.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12640141
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1-benzyl-2-methyl-1,3-dihydroisoindole
CID 10585192
2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
CID 162431044
2-[(1S,2S)-2-benzyl-1-hydroxy-1,3-dihydroinden-2-yl]-1H-inden-1-ol
CID 118073293
3-benzyl-2-methyl-5-phenyl-1,5-dihydro-2,4-benzodiazepine
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(1R,2R)-2-(2-bromoethyl)-2-methyl-3,4-dihydro-1H-naphthalen-1-ol
CID 102018706
(1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol
CID 22216149
(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride
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1,2-dimethyl-1,3-dihydroisoindole
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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol?
The IUPAC name of 3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol (CID 102338667) is 3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol.
What is the SMILES notation for 3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol?
The canonical SMILES for 3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol is CN1Cc2ccccc2C(O)C1(C)Cc1ccccc1.
What is the InChIKey of 3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol?
The InChIKey is CKWGAIRSLYGCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(12-14-8-4-3-5-9-14)17(20)16-11-7-6-10-15(16)13-19(18)2/h3-11,17,20H,12-13H2,1-2H3.
What are the key properties of 3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol?
3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol has a molecular weight of 267.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2,3-dimethyl-1,4-dihydroisoquinolin-4-ol is sourced from PubChem (CID 102338667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).