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

C18H23NO2 — CID 115822379

IUPAC1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol
SMILESCCc1ccc(CC(O)CCc2ccc(OC)cc2)nc1
InChIInChI=1S/C18H23NO2/c1-3-14-4-8-16(19-13-14)12-17(20)9-5-15-6-10-18(21-2)11-7-15/h4,6-8,10-11,13,17,20H,3,5,9,12H2,1-2H3
InChIKeyXAZRIDQCJYDWQM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.19
Rot. Bonds7

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

1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol (PubChem CID 115822379) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol
PubChem CID115822379
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol
SMILESCCc1ccc(CC(O)CCc2ccc(OC)cc2)nc1
InChIInChI=1S/C18H23NO2/c1-3-14-4-8-16(19-13-14)12-17(20)9-5-15-6-10-18(21-2)11-7-15/h4,6-8,10-11,13,17,20H,3,5,9,12H2,1-2H3
InChIKeyXAZRIDQCJYDWQM-UHFFFAOYSA-N
XLogP3.19
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
CID 105115083
4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol
CID 105115139
1-(5-ethyl-2-pyridinyl)-4-phenoxybutan-2-ol
CID 79745898
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786128
1-(4-iodophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 115802735
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
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-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol
CID 66458905
3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol
CID 116752855

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol (CID 115822379) is 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol is CCc1ccc(CC(O)CCc2ccc(OC)cc2)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol?
The InChIKey is XAZRIDQCJYDWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-14-4-8-16(19-13-14)12-17(20)9-5-15-6-10-18(21-2)11-7-15/h4,6-8,10-11,13,17,20H,3,5,9,12H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol?
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-ol is sourced from PubChem (CID 115822379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).