1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol

C19H19NO — CID 105094616

IUPAC1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CCC(O)c2cccc3cnccc23)c1
InChIInChI=1S/C19H19NO/c1-14-4-2-5-15(12-14)8-9-19(21)18-7-3-6-16-13-20-11-10-17(16)18/h2-7,10-13,19,21H,8-9H2,1H3
InChIKeyDIHWNTGQXUSHNJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.21
Rot. Bonds4

About 1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol

1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol (PubChem CID 105094616) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol
PubChem CID105094616
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CCC(O)c2cccc3cnccc23)c1
InChIInChI=1S/C19H19NO/c1-14-4-2-5-15(12-14)8-9-19(21)18-7-3-6-16-13-20-11-10-17(16)18/h2-7,10-13,19,21H,8-9H2,1H3
InChIKeyDIHWNTGQXUSHNJ-UHFFFAOYSA-N
XLogP4.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-5-yl-2-(3-methylphenyl)sulfanylethanol
CID 66087167
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
2-(3,5-difluorophenyl)-1-isoquinolin-5-ylethanol
CID 62813513
4-ethoxy-1-isoquinolin-5-ylbutan-1-ol
CID 105094595
1-isoquinolin-5-yl-2-methoxyethanol
CID 62813668
(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol
CID 115795023
(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
CID 106859204
3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol
CID 62813667
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol (CID 105094616) is 1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol is Cc1cccc(CCC(O)c2cccc3cnccc23)c1.
What is the InChIKey of 1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol?
The InChIKey is DIHWNTGQXUSHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-4-2-5-15(12-14)8-9-19(21)18-7-3-6-16-13-20-11-10-17(16)18/h2-7,10-13,19,21H,8-9H2,1H3.
What are the key properties of 1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol?
1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol has a molecular weight of 277.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-3-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 105094616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).