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

C23H31Cl2NO — CID 101176924

IUPAC[4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H31Cl2NO/c1-6-7-8-9-17-21(16-10-11-19(24)20(25)12-16)18(13-27)23(15(4)5)26-22(17)14(2)3/h10-12,14-15,27H,6-9,13H2,1-5H3
InChIKeyWFUSDUDDXVSPFD-UHFFFAOYSA-N
MW408.41 g/mol
LogP7.53
Rot. Bonds8

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

[4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 101176924) has the molecular formula C23H31Cl2NO and a molecular weight of 408.41 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID101176924
Molecular FormulaC23H31Cl2NO
Molecular Weight408.41 g/mol
Exact Mass407.18
IUPAC Name[4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H31Cl2NO/c1-6-7-8-9-17-21(16-10-11-19(24)20(25)12-16)18(13-27)23(15(4)5)26-22(17)14(2)3/h10-12,14-15,27H,6-9,13H2,1-5H3
InChIKeyWFUSDUDDXVSPFD-UHFFFAOYSA-N
XLogP7.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.41
LogP ≤ 57.53
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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Related Compounds

[4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005048
[5-pentyl-2,6-di(propan-2-yl)-4-pyridin-3-yl-3-pyridinyl]methanol
CID 22004998
[4-(3,4-dichlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005272
4-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]butan-1-ol
CID 22005370
[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005324
[4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 54328042
[4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22004961
[4-(4-fluorophenyl)-6-(morpholin-4-ylmethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol
CID 22005376
[4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005039
fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol
CID 67483460
[2-(3,4-dichlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82435026
[3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol
CID 22005025

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 101176924) is [4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is WFUSDUDDXVSPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31Cl2NO/c1-6-7-8-9-17-21(16-10-11-19(24)20(25)12-16)18(13-27)23(15(4)5)26-22(17)14(2)3/h10-12,14-15,27H,6-9,13H2,1-5H3.
What are the key properties of [4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 408.41 g/mol, XLogP of 7.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 101176924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).