2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol

C14H15BrN2O2 — CID 115527859

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
SMILESCOc1ccc(CC(O)c2ccnc(C)n2)cc1Br
InChIInChI=1S/C14H15BrN2O2/c1-9-16-6-5-12(17-9)13(18)8-10-3-4-14(19-2)11(15)7-10/h3-7,13,18H,8H2,1-2H3
InChIKeyBJWLRPNKSMLWDA-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.83
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol

2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol (PubChem CID 115527859) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
PubChem CID115527859
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
SMILESCOc1ccc(CC(O)c2ccnc(C)n2)cc1Br
InChIInChI=1S/C14H15BrN2O2/c1-9-16-6-5-12(17-9)13(18)8-10-3-4-14(19-2)11(15)7-10/h3-7,13,18H,8H2,1-2H3
InChIKeyBJWLRPNKSMLWDA-UHFFFAOYSA-N
XLogP2.83
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 104793243
1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol
CID 115779394
2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82729946
2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115779364
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530632
(3,4-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanol
CID 115527861
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840247
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
CID 63893838
2-(3-bromo-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 115779451
2-(3-bromo-4-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115779414

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol (CID 115527859) is 2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol is COc1ccc(CC(O)c2ccnc(C)n2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol?
The InChIKey is BJWLRPNKSMLWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-16-6-5-12(17-9)13(18)8-10-3-4-14(19-2)11(15)7-10/h3-7,13,18H,8H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol has a molecular weight of 323.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol is sourced from PubChem (CID 115527859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).