1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol

C18H22BrNO — CID 115833121

IUPAC1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol
SMILESCCC(C)C(c1ccccc1)C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C18H22BrNO/c1-3-13(2)18(14-7-5-4-6-8-14)17(21)11-16-10-9-15(19)12-20-16/h4-10,12-13,17-18,21H,3,11H2,1-2H3
InChIKeyIQUUSHWYTJIKMO-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.58
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol

1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol (PubChem CID 115833121) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol
PubChem CID115833121
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol
SMILESCCC(C)C(c1ccccc1)C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C18H22BrNO/c1-3-13(2)18(14-7-5-4-6-8-14)17(21)11-16-10-9-15(19)12-20-16/h4-10,12-13,17-18,21H,3,11H2,1-2H3
InChIKeyIQUUSHWYTJIKMO-UHFFFAOYSA-N
XLogP4.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
1-(4-bromophenyl)-4-methyl-3-phenylhexan-2-ol
CID 114977568
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine
CID 104846463
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol
CID 115814018
3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845549
5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
CID 104813337
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
4-methyl-1-(3-methylphenyl)-3-phenylhexan-2-ol
CID 114978141
2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol
CID 104801712
3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol
CID 103456719

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol (CID 115833121) is 1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol is CCC(C)C(c1ccccc1)C(O)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol?
The InChIKey is IQUUSHWYTJIKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-13(2)18(14-7-5-4-6-8-14)17(21)11-16-10-9-15(19)12-20-16/h4-10,12-13,17-18,21H,3,11H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol?
1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol has a molecular weight of 348.28 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol is sourced from PubChem (CID 115833121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).