[2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol

C24H27NO4S — CID 70273669

IUPAC[2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol
SMILESCCCCOc1nc(-c2ccc(C)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO
InChIInChI=1S/C24H27NO4S/c1-4-5-14-29-24-20(16-26)15-22(18-10-12-21(13-11-18)30(3,27)28)23(25-24)19-8-6-17(2)7-9-19/h6-13,15,26H,4-5,14,16H2,1-3H3
InChIKeyHKSLUMWLZAQZIB-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.80
Rot. Bonds8

About [2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol

[2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol (PubChem CID 70273669) has the molecular formula C24H27NO4S and a molecular weight of 425.55 g/mol. Its IUPAC name is [2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol
PubChem CID70273669
Molecular FormulaC24H27NO4S
Molecular Weight425.55 g/mol
Exact Mass425.17
IUPAC Name[2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol
SMILESCCCCOc1nc(-c2ccc(C)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO
InChIInChI=1S/C24H27NO4S/c1-4-5-14-29-24-20(16-26)15-22(18-10-12-21(13-11-18)30(3,27)28)23(25-24)19-8-6-17(2)7-9-19/h6-13,15,26H,4-5,14,16H2,1-3H3
InChIKeyHKSLUMWLZAQZIB-UHFFFAOYSA-N
XLogP4.80
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]-N,N-dimethylmethanamine
CID 54320050
1-[[6-butoxy-5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylpropan-2-ol
CID 164623216
4-[6-butoxy-5-(hydroxymethyl)-2-(3-methylsulfanylphenyl)-3-pyridinyl]benzenesulfonamide
CID 70273637
5-[2-butoxy-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]hexanoic acid
CID 54169082
1-[[6-butoxy-5-(2-hydroxypropan-2-yl)-3-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]-2-methylpropan-2-ol
CID 164613001
[2-butoxy-6-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-3-pyridinyl] pentanoate
CID 57112134
6-(4-ethylphenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 70271927
6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-pent-2-en-3-yloxypyridine-3-carbonitrile
CID 70273625
4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene
CID 126737250
ethane;6-(4-fluorophenyl)-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 143049750
1-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazole
CID 19355257
4-butoxy-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole
CID 22998175

Frequently Asked Questions

What is the IUPAC name of [2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol?
The IUPAC name of [2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol (CID 70273669) is [2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol is CCCCOc1nc(-c2ccc(C)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO.
What is the InChIKey of [2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol?
The InChIKey is HKSLUMWLZAQZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4S/c1-4-5-14-29-24-20(16-26)15-22(18-10-12-21(13-11-18)30(3,27)28)23(25-24)19-8-6-17(2)7-9-19/h6-13,15,26H,4-5,14,16H2,1-3H3.
What are the key properties of [2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol?
[2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol has a molecular weight of 425.55 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butoxy-6-(4-methylphenyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 70273669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).