[5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol

C26H39NO — CID 22005096

IUPAC[5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C26H39NO/c1-8-9-10-11-22-24(21-14-12-20(13-15-21)17(2)3)23(16-28)26(19(6)7)27-25(22)18(4)5/h12-15,17-19,28H,8-11,16H2,1-7H3
InChIKeyYLJLEMOKKITMOJ-UHFFFAOYSA-N
MW381.60 g/mol
LogP7.34
Rot. Bonds9

About [5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol

[5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol (PubChem CID 22005096) has the molecular formula C26H39NO and a molecular weight of 381.60 g/mol. Its IUPAC name is [5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol
PubChem CID22005096
Molecular FormulaC26H39NO
Molecular Weight381.60 g/mol
Exact Mass381.30
IUPAC Name[5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C26H39NO/c1-8-9-10-11-22-24(21-14-12-20(13-15-21)17(2)3)23(16-28)26(19(6)7)27-25(22)18(4)5/h12-15,17-19,28H,8-11,16H2,1-7H3
InChIKeyYLJLEMOKKITMOJ-UHFFFAOYSA-N
XLogP7.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol?
The IUPAC name of [5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol (CID 22005096) is [5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol is CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of [5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol?
The InChIKey is YLJLEMOKKITMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO/c1-8-9-10-11-22-24(21-14-12-20(13-15-21)17(2)3)23(16-28)26(19(6)7)27-25(22)18(4)5/h12-15,17-19,28H,8-11,16H2,1-7H3.
What are the key properties of [5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol?
[5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol has a molecular weight of 381.60 g/mol, XLogP of 7.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-pentyl-2,6-di(propan-2-yl)-4-(4-propan-2-ylphenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 22005096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).