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

C27H32FNO — CID 22004961

IUPAC[4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCc1ccc(CCc2c(C(C)C)nc(C(C)C)c(CO)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C27H32FNO/c1-17(2)26-23(15-10-20-8-6-19(5)7-9-20)25(21-11-13-22(28)14-12-21)24(16-30)27(29-26)18(3)4/h6-9,11-14,17-18,30H,10,15-16H2,1-5H3
InChIKeyUEFRAXQLXQMHJE-UHFFFAOYSA-N
MW405.56 g/mol
LogP6.72
Rot. Bonds7

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

[4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22004961) has the molecular formula C27H32FNO and a molecular weight of 405.56 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22004961
Molecular FormulaC27H32FNO
Molecular Weight405.56 g/mol
Exact Mass405.25
IUPAC Name[4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCc1ccc(CCc2c(C(C)C)nc(C(C)C)c(CO)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C27H32FNO/c1-17(2)26-23(15-10-20-8-6-19(5)7-9-20)25(21-11-13-22(28)14-12-21)24(16-30)27(29-26)18(3)4/h6-9,11-14,17-18,30H,10,15-16H2,1-5H3
InChIKeyUEFRAXQLXQMHJE-UHFFFAOYSA-N
XLogP6.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22004961) is [4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol is Cc1ccc(CCc2c(C(C)C)nc(C(C)C)c(CO)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is UEFRAXQLXQMHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FNO/c1-17(2)26-23(15-10-20-8-6-19(5)7-9-20)25(21-11-13-22(28)14-12-21)24(16-30)27(29-26)18(3)4/h6-9,11-14,17-18,30H,10,15-16H2,1-5H3.
What are the key properties of [4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 405.56 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22004961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).