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

C24H35NO2 — CID 22005048

IUPAC[4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(OC)c1
InChIInChI=1S/C24H35NO2/c1-7-8-9-13-20-22(18-11-10-12-19(14-18)27-6)21(15-26)24(17(4)5)25-23(20)16(2)3/h10-12,14,16-17,26H,7-9,13,15H2,1-6H3
InChIKeyYXNKGSVXMGLJSF-UHFFFAOYSA-N
MW369.55 g/mol
LogP6.23
Rot. Bonds9

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

[4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22005048) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22005048
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name[4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(OC)c1
InChIInChI=1S/C24H35NO2/c1-7-8-9-13-20-22(18-11-10-12-19(14-18)27-6)21(15-26)24(17(4)5)25-23(20)16(2)3/h10-12,14,16-17,26H,7-9,13,15H2,1-6H3
InChIKeyYXNKGSVXMGLJSF-UHFFFAOYSA-N
XLogP6.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol
CID 22004998
[4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 101176924
5-heptyl-10,15,20-tris(3-methoxyphenyl)-21,23-dihydroporphyrin
CID 136798653
4-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]butan-1-ol
CID 22005370
[4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 54328042
dizinc;5-butyl-15-[15-butyl-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
CID 71746166
[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005324
methyl 5-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]-2-fluorobenzoate
CID 22005097
zinc 5-bromo-15-butyl-10,20-bis(3-methoxyphenyl)porphyrin-22,24-diide
CID 56651772
1-methoxy-3-nonadecylbenzene
CID 154507578
4,5-diheptyl-2-(4-methoxyphenyl)-3-phenylphenol
CID 174287506
4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
CID 23147378

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22005048) is [4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(OC)c1.
What is the InChIKey of [4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is YXNKGSVXMGLJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-7-8-9-13-20-22(18-11-10-12-19(14-18)27-6)21(15-26)24(17(4)5)25-23(20)16(2)3/h10-12,14,16-17,26H,7-9,13,15H2,1-6H3.
What are the key properties of [4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 369.55 g/mol, XLogP of 6.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22005048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).