2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol

C13H17BrO3 — CID 65327756

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)C2CCOC2)c1
InChIInChI=1S/C13H17BrO3/c1-16-11-2-3-12(14)10(6-11)7-13(15)9-4-5-17-8-9/h2-3,6,9,13,15H,4-5,7-8H2,1H3
InChIKeyOZHTZABEKINVQV-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.40
Rot. Bonds4

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

2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol (PubChem CID 65327756) has the molecular formula C13H17BrO3 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
PubChem CID65327756
Molecular FormulaC13H17BrO3
Molecular Weight301.18 g/mol
Exact Mass300.04
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)C2CCOC2)c1
InChIInChI=1S/C13H17BrO3/c1-16-11-2-3-12(14)10(6-11)7-13(15)9-4-5-17-8-9/h2-3,6,9,13,15H,4-5,7-8H2,1H3
InChIKeyOZHTZABEKINVQV-UHFFFAOYSA-N
XLogP2.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986427
2-(2-bromo-5-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401737
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 61277701
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801475
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 79094360
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-(2-bromo-4-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61276590
3-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569796
2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788733
2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241573
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-amine
CID 115862327

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol (CID 65327756) is 2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol is COc1ccc(Br)c(CC(O)C2CCOC2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol?
The InChIKey is OZHTZABEKINVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO3/c1-16-11-2-3-12(14)10(6-11)7-13(15)9-4-5-17-8-9/h2-3,6,9,13,15H,4-5,7-8H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol?
2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol has a molecular weight of 301.18 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 65327756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).