1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol

C18H26FNO — CID 114460490

IUPAC1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(N2CC=C(C(C)(C)C)CC2)c(C(C)O)cc1F
InChIInChI=1S/C18H26FNO/c1-12-10-17(15(13(2)21)11-16(12)19)20-8-6-14(7-9-20)18(3,4)5/h6,10-11,13,21H,7-9H2,1-5H3
InChIKeyKDUUYELFVKROEP-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.37
Rot. Bonds2

About 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol

1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol (PubChem CID 114460490) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol
PubChem CID114460490
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol
SMILESCc1cc(N2CC=C(C(C)(C)C)CC2)c(C(C)O)cc1F
InChIInChI=1S/C18H26FNO/c1-12-10-17(15(13(2)21)11-16(12)19)20-8-6-14(7-9-20)18(3,4)5/h6,10-11,13,21H,7-9H2,1-5H3
InChIKeyKDUUYELFVKROEP-UHFFFAOYSA-N
XLogP4.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol?
The IUPAC name of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol (CID 114460490) is 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol?
The canonical SMILES for 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol is Cc1cc(N2CC=C(C(C)(C)C)CC2)c(C(C)O)cc1F.
What is the InChIKey of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol?
The InChIKey is KDUUYELFVKROEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-12-10-17(15(13(2)21)11-16(12)19)20-8-6-14(7-9-20)18(3,4)5/h6,10-11,13,21H,7-9H2,1-5H3.
What are the key properties of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol?
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol has a molecular weight of 291.41 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-5-fluoro-4-methylphenyl]ethanol is sourced from PubChem (CID 114460490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).