1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol

C16H18BrNO2 — CID 105100110

IUPAC1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol
SMILESCOc1ccc(Br)c(CC(O)CCc2ccccn2)c1
InChIInChI=1S/C16H18BrNO2/c1-20-15-7-8-16(17)12(11-15)10-14(19)6-5-13-4-2-3-9-18-13/h2-4,7-9,11,14,19H,5-6,10H2,1H3
InChIKeyGBWZQGRVJLZXEN-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.39
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol

1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol (PubChem CID 105100110) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol
PubChem CID105100110
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol
SMILESCOc1ccc(Br)c(CC(O)CCc2ccccn2)c1
InChIInChI=1S/C16H18BrNO2/c1-20-15-7-8-16(17)12(11-15)10-14(19)6-5-13-4-2-3-9-18-13/h2-4,7-9,11,14,19H,5-6,10H2,1H3
InChIKeyGBWZQGRVJLZXEN-UHFFFAOYSA-N
XLogP3.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-4-phenylbutan-2-ol
CID 65327369
1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one
CID 105102243
1-(2-bromo-5-methoxyphenyl)-3-phenylpropan-2-ol
CID 65327415
1-(3-bromo-2,6-difluorophenyl)-4-pyridin-2-ylbutan-2-ol
CID 106274491
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734
1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-ol
CID 66142881
4-(2-bromo-5-methoxyphenyl)-1-methoxybutan-2-ol
CID 65326801
1-(5-bromothiophen-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105087342
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274
1-(2-bromo-5-methoxyphenyl)-3-methyl-3-phenylbutan-2-ol
CID 65325300
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol (CID 105100110) is 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol is COc1ccc(Br)c(CC(O)CCc2ccccn2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol?
The InChIKey is GBWZQGRVJLZXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-20-15-7-8-16(17)12(11-15)10-14(19)6-5-13-4-2-3-9-18-13/h2-4,7-9,11,14,19H,5-6,10H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol?
1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol has a molecular weight of 336.23 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 105100110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).