2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol

C15H21BrO3 — CID 116754158

IUPAC2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
SMILESCCOC1(C(O)Cc2ccccc2Br)CCOCC1
InChIInChI=1S/C15H21BrO3/c1-2-19-15(7-9-18-10-8-15)14(17)11-12-5-3-4-6-13(12)16/h3-6,14,17H,2,7-11H2,1H3
InChIKeyTWKLNHLXUXZBCW-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.94
Rot. Bonds5

About 2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol

2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol (PubChem CID 116754158) has the molecular formula C15H21BrO3 and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
PubChem CID116754158
Molecular FormulaC15H21BrO3
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
SMILESCCOC1(C(O)Cc2ccccc2Br)CCOCC1
InChIInChI=1S/C15H21BrO3/c1-2-19-15(7-9-18-10-8-15)14(17)11-12-5-3-4-6-13(12)16/h3-6,14,17H,2,7-11H2,1H3
InChIKeyTWKLNHLXUXZBCW-UHFFFAOYSA-N
XLogP2.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754232
[2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276967
2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764497
2-(2-chloro-3-fluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754152
2-(3-chlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanol
CID 116754296
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753002
1-(4-ethoxyoxan-4-yl)butan-1-ol
CID 116754162
2-(2-chlorophenyl)sulfanyl-1-(4-ethoxyoxan-4-yl)ethanol
CID 116779682
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
(4-ethoxyoxan-4-yl)-naphthalen-1-ylmethanol
CID 116754309

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol (CID 116754158) is 2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol is CCOC1(C(O)Cc2ccccc2Br)CCOCC1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol?
The InChIKey is TWKLNHLXUXZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO3/c1-2-19-15(7-9-18-10-8-15)14(17)11-12-5-3-4-6-13(12)16/h3-6,14,17H,2,7-11H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol?
2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol has a molecular weight of 329.23 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4-ethoxyoxan-4-yl)ethanol is sourced from PubChem (CID 116754158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).