[5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol

C24H30F3NO — CID 22004933

IUPAC[5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
SMILESCCC/C=C/c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H30F3NO/c1-6-7-8-9-19-21(17-10-12-18(13-11-17)24(25,26)27)20(14-29)23(16(4)5)28-22(19)15(2)3/h8-13,15-16,29H,6-7,14H2,1-5H3/b9-8+
InChIKeyRJUWSUZKIRWWHS-CMDGGOBGSA-N
MW405.50 g/mol
LogP7.32
Rot. Bonds7

About [5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol

[5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol (PubChem CID 22004933) has the molecular formula C24H30F3NO and a molecular weight of 405.50 g/mol. Its IUPAC name is [5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
PubChem CID22004933
Molecular FormulaC24H30F3NO
Molecular Weight405.50 g/mol
Exact Mass405.23
IUPAC Name[5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
SMILESCCC/C=C/c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H30F3NO/c1-6-7-8-9-19-21(17-10-12-18(13-11-17)24(25,26)27)20(14-29)23(16(4)5)28-22(19)15(2)3/h8-13,15-16,29H,6-7,14H2,1-5H3/b9-8+
InChIKeyRJUWSUZKIRWWHS-CMDGGOBGSA-N
XLogP7.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol?
The IUPAC name of [5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol (CID 22004933) is [5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol?
The canonical SMILES for [5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol is CCC/C=C/c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol?
The InChIKey is RJUWSUZKIRWWHS-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H30F3NO/c1-6-7-8-9-19-21(17-10-12-18(13-11-17)24(25,26)27)20(14-29)23(16(4)5)28-22(19)15(2)3/h8-13,15-16,29H,6-7,14H2,1-5H3/b9-8+.
What are the key properties of [5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol?
[5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol has a molecular weight of 405.50 g/mol, XLogP of 7.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-4-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanol is sourced from PubChem (CID 22004933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).