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

C28H42FNO — CID 54328042

IUPAC[4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1C(CC)C(C)F
InChIInChI=1S/C28H42FNO/c1-8-10-11-16-24-26(23-15-13-12-14-22(23)21(9-2)20(7)29)25(17-31)28(19(5)6)30-27(24)18(3)4/h12-15,18-21,31H,8-11,16-17H2,1-7H3
InChIKeySWIUDNHADVDOOT-UHFFFAOYSA-N
MW427.65 g/mol
LogP8.07
Rot. Bonds11

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

[4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 54328042) has the molecular formula C28H42FNO and a molecular weight of 427.65 g/mol. Its IUPAC name is [4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID54328042
Molecular FormulaC28H42FNO
Molecular Weight427.65 g/mol
Exact Mass427.33
IUPAC Name[4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1C(CC)C(C)F
InChIInChI=1S/C28H42FNO/c1-8-10-11-16-24-26(23-15-13-12-14-22(23)21(9-2)20(7)29)25(17-31)28(19(5)6)30-27(24)18(3)4/h12-15,18-21,31H,8-11,16-17H2,1-7H3
InChIKeySWIUDNHADVDOOT-UHFFFAOYSA-N
XLogP8.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.65
LogP ≤ 58.07
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

[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
[4-(3-methoxyphenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005048
2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol
CID 22005139
4-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]butan-1-ol
CID 22005370
2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol
CID 22005018
fluoro-(4-fluorophenyl)-[3-(hydroxymethyl)-5-pentyl-2,6-di(propan-2-yl)-4-pyridinyl]methanol
CID 67483460
[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005324
[5-[(E)-but-1-enyl]-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22004914
[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
[2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]quinolin-3-yl]methanol
CID 15125318

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 54328042) is [4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1C(CC)C(C)F.
What is the InChIKey of [4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is SWIUDNHADVDOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42FNO/c1-8-10-11-16-24-26(23-15-13-12-14-22(23)21(9-2)20(7)29)25(17-31)28(19(5)6)30-27(24)18(3)4/h12-15,18-21,31H,8-11,16-17H2,1-7H3.
What are the key properties of [4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 427.65 g/mol, XLogP of 8.07, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 54328042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).