1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol

C17H21NO — CID 79739903

IUPAC1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2cccc(C)c2C)nc1
InChIInChI=1S/C17H21NO/c1-4-14-8-9-15(18-11-14)10-17(19)16-7-5-6-12(2)13(16)3/h5-9,11,17,19H,4,10H2,1-3H3
InChIKeyKVXYZGHHCUVXPG-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.54
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol

1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol (PubChem CID 79739903) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
PubChem CID79739903
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2cccc(C)c2C)nc1
InChIInChI=1S/C17H21NO/c1-4-14-8-9-15(18-11-14)10-17(19)16-7-5-6-12(2)13(16)3/h5-9,11,17,19H,4,10H2,1-3H3
InChIKeyKVXYZGHHCUVXPG-UHFFFAOYSA-N
XLogP3.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethyl-2-pyridinyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822367
1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822213
[2-(5-ethyl-2-pyridinyl)-1-(2-methylphenyl)ethyl]hydrazine
CID 105200362
2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethanol
CID 79740116
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79747878
1-(1-benzothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79739397
2-(5-ethyl-2-pyridinyl)-1-quinolin-4-ylethanol
CID 79723309
1-(2,5-dibromophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822341
1-(5-chloro-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 114853153
2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol
CID 102924082
2-(5-ethyl-2-pyridinyl)-1-pyridin-4-ylethanol
CID 79739696
1-(2-bromo-3-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 114024113

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol (CID 79739903) is 1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol is CCc1ccc(CC(O)c2cccc(C)c2C)nc1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The InChIKey is KVXYZGHHCUVXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-14-8-9-15(18-11-14)10-17(19)16-7-5-6-12(2)13(16)3/h5-9,11,17,19H,4,10H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol has a molecular weight of 255.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 79739903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).