1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol

C10H12BrClO2 — CID 115818734

IUPAC1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol
SMILESCCOCC(O)c1cccc(Br)c1Cl
InChIInChI=1S/C10H12BrClO2/c1-2-14-6-9(13)7-4-3-5-8(11)10(7)12/h3-5,9,13H,2,6H2,1H3
InChIKeyJJIQSXBTTTXHAB-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.17
Rot. Bonds4

About 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol

1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol (PubChem CID 115818734) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol
PubChem CID115818734
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol
SMILESCCOCC(O)c1cccc(Br)c1Cl
InChIInChI=1S/C10H12BrClO2/c1-2-14-6-9(13)7-4-3-5-8(11)10(7)12/h3-5,9,13H,2,6H2,1H3
InChIKeyJJIQSXBTTTXHAB-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-chlorophenyl)-2-ethoxyethanamine
CID 105007829
[1-(3-bromo-2-chlorophenyl)-2-ethoxyethyl]hydrazine
CID 105321283
1-(3-bromo-2-chlorophenyl)-4-methylpentan-1-ol
CID 115783703
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
CID 114885640
1-(3-bromo-2-methylphenyl)-2-propoxyethanol
CID 115818912
(1S)-1-(3-bromo-2-chlorophenyl)-2-methoxyethanamine
CID 131128367
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 115779442
1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol
CID 115818736
1-(2,3-dimethoxyphenyl)-2-ethoxyethanol
CID 79567811
(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine
CID 115853550
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-ethoxyethanol
CID 105111843
1-(2-bromo-4-chlorophenyl)-2-ethoxyethanamine
CID 107994199

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol (CID 115818734) is 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol is CCOCC(O)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol?
The InChIKey is JJIQSXBTTTXHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-2-14-6-9(13)7-4-3-5-8(11)10(7)12/h3-5,9,13H,2,6H2,1H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol?
1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol has a molecular weight of 279.56 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol is sourced from PubChem (CID 115818734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).