1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol

C16H18BrNO3 — CID 103524557

IUPAC1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol
SMILESCOc1ccc(C(O)CCc2ccccn2)c(OC)c1Br
InChIInChI=1S/C16H18BrNO3/c1-20-14-9-7-12(16(21-2)15(14)17)13(19)8-6-11-5-3-4-10-18-11/h3-5,7,9-10,13,19H,6,8H2,1-2H3
InChIKeyDZBQUMOSGKTJTG-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.53
Rot. Bonds6

About 1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol

1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol (PubChem CID 103524557) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol
PubChem CID103524557
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol
SMILESCOc1ccc(C(O)CCc2ccccn2)c(OC)c1Br
InChIInChI=1S/C16H18BrNO3/c1-20-14-9-7-12(16(21-2)15(14)17)13(19)8-6-11-5-3-4-10-18-11/h3-5,7,9-10,13,19H,6,8H2,1-2H3
InChIKeyDZBQUMOSGKTJTG-UHFFFAOYSA-N
XLogP3.53
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105122398
1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105124333
1-(3-bromo-2,4-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 103523197
(4S)-4-(3-bromo-2,4-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 114207364
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-ol
CID 105079856
2-[(2-bromo-3-fluoro-4-propan-2-ylphenoxy)methyl]pyridine
CID 170747064
trimethoxy(2-pyridin-2-ylethyl)silane
CID 158126739
(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine
CID 103523606
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105145160
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 62378651
1-(3-bromo-2,4-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)ethanol
CID 103165538
(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 93476587

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol (CID 103524557) is 1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol is COc1ccc(C(O)CCc2ccccn2)c(OC)c1Br.
What is the InChIKey of 1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol?
The InChIKey is DZBQUMOSGKTJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-20-14-9-7-12(16(21-2)15(14)17)13(19)8-6-11-5-3-4-10-18-11/h3-5,7,9-10,13,19H,6,8H2,1-2H3.
What are the key properties of 1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol?
1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol has a molecular weight of 352.23 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 103524557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).