1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol

C17H21NO — CID 105080302

IUPAC1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
SMILESCCc1ccc(CC(O)CCc2ccccn2)cc1
InChIInChI=1S/C17H21NO/c1-2-14-6-8-15(9-7-14)13-17(19)11-10-16-5-3-4-12-18-16/h3-9,12,17,19H,2,10-11,13H2,1H3
InChIKeyRYAIYAZYZTUWOV-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.18
Rot. Bonds6

About 1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol

1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol (PubChem CID 105080302) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
PubChem CID105080302
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol
SMILESCCc1ccc(CC(O)CCc2ccccn2)cc1
InChIInChI=1S/C17H21NO/c1-2-14-6-8-15(9-7-14)13-17(19)11-10-16-5-3-4-12-18-16/h3-9,12,17,19H,2,10-11,13H2,1H3
InChIKeyRYAIYAZYZTUWOV-UHFFFAOYSA-N
XLogP3.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105121774
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105080198
1-(furan-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105122992
1-(2-methyl-1,3-thiazol-4-yl)-4-pyridin-2-ylbutan-2-ol
CID 105106766
1-(5-ethyl-2-pyridinyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105168957
1-(4-chlorophenyl)-3-pyridin-2-ylpropan-2-ol
CID 60797375
2-[3-[(4-ethylphenyl)methoxy]propyl]pyridine
CID 134328628
1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105087342
1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol
CID 105100110
1-pyridin-2-yldec-9-en-3-ol
CID 107012287
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol?
The IUPAC name of 1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol (CID 105080302) is 1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol?
The canonical SMILES for 1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol is CCc1ccc(CC(O)CCc2ccccn2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol?
The InChIKey is RYAIYAZYZTUWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-14-6-8-15(9-7-14)13-17(19)11-10-16-5-3-4-12-18-16/h3-9,12,17,19H,2,10-11,13H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol?
1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 105080302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).