2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol

C16H18BrNO2 — CID 82729946

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
SMILESCCc1cccnc1C(O)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-3-12-5-4-8-18-16(12)14(19)10-11-6-7-15(20-2)13(17)9-11/h4-9,14,19H,3,10H2,1-2H3
InChIKeyAXUSADIWLQLPSI-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.69
Rot. Bonds5

About 2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol

2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol (PubChem CID 82729946) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
PubChem CID82729946
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
SMILESCCc1cccnc1C(O)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-3-12-5-4-8-18-16(12)14(19)10-11-6-7-15(20-2)13(17)9-11/h4-9,14,19H,3,10H2,1-2H3
InChIKeyAXUSADIWLQLPSI-UHFFFAOYSA-N
XLogP3.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-ethyl-2-pyridinyl)-2-hydroxyethyl]phenol
CID 82730497
2-(4-tert-butylphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82732445
2-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053743
[1-(3-ethyl-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105263789
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4-methoxyphenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527859
2-(3-bromo-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105110877
2-(4-fluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053745
1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol
CID 114053750
1-(3-methoxy-2-pyridinyl)-2-phenylethanol
CID 114053626
3-(3-bromo-4-methoxyphenyl)-1,1-diethoxypropan-2-ol
CID 79496145
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol (CID 82729946) is 2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol is CCc1cccnc1C(O)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol?
The InChIKey is AXUSADIWLQLPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-3-12-5-4-8-18-16(12)14(19)10-11-6-7-15(20-2)13(17)9-11/h4-9,14,19H,3,10H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol has a molecular weight of 336.23 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-1-(3-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 82729946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).