1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol

C18H23NO — CID 105115083

IUPAC1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
SMILESCCc1ccc(CC(O)CCc2ccc(C)cc2)nc1
InChIInChI=1S/C18H23NO/c1-3-15-8-10-17(19-13-15)12-18(20)11-9-16-6-4-14(2)5-7-16/h4-8,10,13,18,20H,3,9,11-12H2,1-2H3
InChIKeyKHWLZHYSDNFFFX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.49
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol

1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol (PubChem CID 105115083) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
PubChem CID105115083
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
SMILESCCc1ccc(CC(O)CCc2ccc(C)cc2)nc1
InChIInChI=1S/C18H23NO/c1-3-15-8-10-17(19-13-15)12-18(20)11-9-16-6-4-14(2)5-7-16/h4-8,10,13,18,20H,3,9,11-12H2,1-2H3
InChIKeyKHWLZHYSDNFFFX-UHFFFAOYSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115822379
1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol
CID 66458905
2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethanol
CID 79740116
4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol
CID 105115139
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
1-(5-ethyl-2-pyridinyl)-4-phenoxybutan-2-ol
CID 79745898
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123
1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
CID 79745603
1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745103
1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 115822218
1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79745363

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol (CID 105115083) is 1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol is CCc1ccc(CC(O)CCc2ccc(C)cc2)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol?
The InChIKey is KHWLZHYSDNFFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-15-8-10-17(19-13-15)12-18(20)11-9-16-6-4-14(2)5-7-16/h4-8,10,13,18,20H,3,9,11-12H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol?
1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol has a molecular weight of 269.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol is sourced from PubChem (CID 105115083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).