1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol

C14H19BrO3 — CID 65157940

IUPAC1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol
SMILESCCOc1ccc(Br)cc1C(O)CC1CCCO1
InChIInChI=1S/C14H19BrO3/c1-2-17-14-6-5-10(15)8-12(14)13(16)9-11-4-3-7-18-11/h5-6,8,11,13,16H,2-4,7,9H2,1H3
InChIKeyNAIMVCOIKSIRSL-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.45
Rot. Bonds5

About 1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol

1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol (PubChem CID 65157940) has the molecular formula C14H19BrO3 and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol
PubChem CID65157940
Molecular FormulaC14H19BrO3
Molecular Weight315.21 g/mol
Exact Mass314.05
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol
SMILESCCOc1ccc(Br)cc1C(O)CC1CCCO1
InChIInChI=1S/C14H19BrO3/c1-2-17-14-6-5-10(15)8-12(14)13(16)9-11-4-3-7-18-11/h5-6,8,11,13,16H,2-4,7,9H2,1H3
InChIKeyNAIMVCOIKSIRSL-UHFFFAOYSA-N
XLogP3.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(oxolan-2-yl)ethanol
CID 65148287
1-(5-bromo-2-ethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156172
1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158041
1-(5-bromo-2-methoxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 65154803
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 103396051
1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 63953787
2-(4-bromo-2-propan-2-ylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 7394850
(1R,2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)-1-cyclobutylethanol
CID 171268602
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
1-(5-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 62608272
4-[(5-bromo-2-ethoxyphenyl)-chloromethyl]oxane
CID 62907272
1-(5-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 115809368

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol (CID 65157940) is 1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol is CCOc1ccc(Br)cc1C(O)CC1CCCO1.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol?
The InChIKey is NAIMVCOIKSIRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO3/c1-2-17-14-6-5-10(15)8-12(14)13(16)9-11-4-3-7-18-11/h5-6,8,11,13,16H,2-4,7,9H2,1H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol?
1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol has a molecular weight of 315.21 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-2-(oxolan-2-yl)ethanol is sourced from PubChem (CID 65157940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).