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

C24H35NO — CID 22004877

IUPAC[4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C)cc1
InChIInChI=1S/C24H35NO/c1-7-8-9-10-20-22(19-13-11-18(6)12-14-19)21(15-26)24(17(4)5)25-23(20)16(2)3/h11-14,16-17,26H,7-10,15H2,1-6H3
InChIKeyFHPWUWXBZPBBSL-UHFFFAOYSA-N
MW353.55 g/mol
LogP6.53
Rot. Bonds8

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

[4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22004877) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is [4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22004877
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name[4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C)cc1
InChIInChI=1S/C24H35NO/c1-7-8-9-10-20-22(19-13-11-18(6)12-14-19)21(15-26)24(17(4)5)25-23(20)16(2)3/h11-14,16-17,26H,7-10,15H2,1-6H3
InChIKeyFHPWUWXBZPBBSL-UHFFFAOYSA-N
XLogP6.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.53
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 [4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22004877) is [4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C)cc1.
What is the InChIKey of [4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is FHPWUWXBZPBBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-7-8-9-10-20-22(19-13-11-18(6)12-14-19)21(15-26)24(17(4)5)25-23(20)16(2)3/h11-14,16-17,26H,7-10,15H2,1-6H3.
What are the key properties of [4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 353.55 g/mol, XLogP of 6.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22004877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).