2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol

C14H19BrO3 — CID 115779418

IUPAC2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol
SMILESCOc1ccc(CC(O)C2COC(C)C2)cc1Br
InChIInChI=1S/C14H19BrO3/c1-9-5-11(8-18-9)13(16)7-10-3-4-14(17-2)12(15)6-10/h3-4,6,9,11,13,16H,5,7-8H2,1-2H3
InChIKeyMMXHHYFVXXMAGV-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.79
Rot. Bonds4

About 2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol

2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol (PubChem CID 115779418) has the molecular formula C14H19BrO3 and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol
PubChem CID115779418
Molecular FormulaC14H19BrO3
Molecular Weight315.21 g/mol
Exact Mass314.05
IUPAC Name2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol
SMILESCOc1ccc(CC(O)C2COC(C)C2)cc1Br
InChIInChI=1S/C14H19BrO3/c1-9-5-11(8-18-9)13(16)7-10-3-4-14(17-2)12(15)6-10/h3-4,6,9,11,13,16H,5,7-8H2,1-2H3
InChIKeyMMXHHYFVXXMAGV-UHFFFAOYSA-N
XLogP2.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401348
2-(3,4-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 114822937
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol
CID 65400931
2-(3-bromo-4-methoxyphenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanol
CID 103345212
1-(5-methyloxolan-3-yl)propan-1-ol
CID 115787725
2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115784886
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115819109
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115830037
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 115817658
2-[1-(3-bromo-4-methoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83926147
2-(3-bromo-4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401565

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol (CID 115779418) is 2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol is COc1ccc(CC(O)C2COC(C)C2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol?
The InChIKey is MMXHHYFVXXMAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO3/c1-9-5-11(8-18-9)13(16)7-10-3-4-14(17-2)12(15)6-10/h3-4,6,9,11,13,16H,5,7-8H2,1-2H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol?
2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol has a molecular weight of 315.21 g/mol, XLogP of 2.79, 4 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-(5-methyloxolan-3-yl)ethanol is sourced from PubChem (CID 115779418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).