4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol

C18H23NO — CID 115814018

IUPAC4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol
SMILESCCC(C)C(c1ccccc1)C(O)Cc1ccncc1
InChIInChI=1S/C18H23NO/c1-3-14(2)18(16-7-5-4-6-8-16)17(20)13-15-9-11-19-12-10-15/h4-12,14,17-18,20H,3,13H2,1-2H3
InChIKeyWRKPRNZCPFOVIY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.81
Rot. Bonds6

About 4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol

4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol (PubChem CID 115814018) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol.

Molecular Properties

Compound Name4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol
PubChem CID115814018
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol
SMILESCCC(C)C(c1ccccc1)C(O)Cc1ccncc1
InChIInChI=1S/C18H23NO/c1-3-14(2)18(16-7-5-4-6-8-16)17(20)13-15-9-11-19-12-10-15/h4-12,14,17-18,20H,3,13H2,1-2H3
InChIKeyWRKPRNZCPFOVIY-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol
CID 114977568
4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol
CID 114978141
1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol
CID 116757045
1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol
CID 115833121
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
6-methyl-5-phenyloct-1-yn-4-ol
CID 115839991
3-methoxy-1-pyridin-4-ylpentan-2-ol
CID 116710698
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
3-phenyl-1-pyridin-4-ylbutan-2-amine
CID 114029119
3-propyl-1-pyridin-4-ylhexan-2-ol
CID 82995140
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol?
The IUPAC name of 4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol (CID 115814018) is 4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol.
What is the SMILES notation for 4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol?
The canonical SMILES for 4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol is CCC(C)C(c1ccccc1)C(O)Cc1ccncc1.
What is the InChIKey of 4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol?
The InChIKey is WRKPRNZCPFOVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-14(2)18(16-7-5-4-6-8-16)17(20)13-15-9-11-19-12-10-15/h4-12,14,17-18,20H,3,13H2,1-2H3.
What are the key properties of 4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol?
4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol has a molecular weight of 269.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol is sourced from PubChem (CID 115814018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).