2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol

C19H19NO — CID 63095266

IUPAC2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
SMILESCc1cc(C)cc(CC(O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C19H19NO/c1-13-8-14(2)10-15(9-13)11-19(21)17-5-6-18-16(12-17)4-3-7-20-18/h3-10,12,19,21H,11H2,1-2H3
InChIKeyNOXKXVKIWGGGLG-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.13
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol

2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol (PubChem CID 63095266) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
PubChem CID63095266
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
SMILESCc1cc(C)cc(CC(O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C19H19NO/c1-13-8-14(2)10-15(9-13)11-19(21)17-5-6-18-16(12-17)4-3-7-20-18/h3-10,12,19,21H,11H2,1-2H3
InChIKeyNOXKXVKIWGGGLG-UHFFFAOYSA-N
XLogP4.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-3-yl)-1-quinolin-6-ylethanol
CID 83172665
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
CID 112753988
4-phenyl-1-quinolin-6-ylbutan-1-ol
CID 63097205
2-(tert-butylamino)-1-quinolin-6-ylethanol
CID 81221991
2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383
2-(5-chloro-2-fluorophenyl)-1-quinolin-6-ylethanol
CID 103047629
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
(1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol
CID 86586613
4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
CID 63969311

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol (CID 63095266) is 2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol is Cc1cc(C)cc(CC(O)c2ccc3ncccc3c2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol?
The InChIKey is NOXKXVKIWGGGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-13-8-14(2)10-15(9-13)11-19(21)17-5-6-18-16(12-17)4-3-7-20-18/h3-10,12,19,21H,11H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol?
2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol has a molecular weight of 277.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol is sourced from PubChem (CID 63095266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).