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

C24H34FNO — CID 22005324

IUPAC[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCC(C)CCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C24H34FNO/c1-15(2)8-7-9-20-22(18-10-12-19(25)13-11-18)21(14-27)24(17(5)6)26-23(20)16(3)4/h10-13,15-17,27H,7-9,14H2,1-6H3
InChIKeyHPLZHFSPALUDOY-UHFFFAOYSA-N
MW371.54 g/mol
LogP6.61
Rot. Bonds8

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

[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22005324) has the molecular formula C24H34FNO and a molecular weight of 371.54 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22005324
Molecular FormulaC24H34FNO
Molecular Weight371.54 g/mol
Exact Mass371.26
IUPAC Name[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCC(C)CCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C24H34FNO/c1-15(2)8-7-9-20-22(18-10-12-19(25)13-11-18)21(14-27)24(17(5)6)26-23(20)16(3)4/h10-13,15-17,27H,7-9,14H2,1-6H3
InChIKeyHPLZHFSPALUDOY-UHFFFAOYSA-N
XLogP6.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.54
LogP ≤ 56.61
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-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22005324) is [4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CC(C)CCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is HPLZHFSPALUDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO/c1-15(2)8-7-9-20-22(18-10-12-19(25)13-11-18)21(14-27)24(17(5)6)26-23(20)16(3)4/h10-13,15-17,27H,7-9,14H2,1-6H3.
What are the key properties of [4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 371.54 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22005324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).