1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol

C10H12BrClO2 — CID 115818736

IUPAC1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol
SMILESCCOCC(O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H12BrClO2/c1-2-14-6-10(13)7-3-4-8(11)9(12)5-7/h3-5,10,13H,2,6H2,1H3
InChIKeyXXXXPZYYUFBRLF-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.17
Rot. Bonds4

About 1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol

1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol (PubChem CID 115818736) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol
PubChem CID115818736
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol
SMILESCCOCC(O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H12BrClO2/c1-2-14-6-10(13)7-3-4-8(11)9(12)5-7/h3-5,10,13H,2,6H2,1H3
InChIKeyXXXXPZYYUFBRLF-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-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105007854
1-(4-bromo-3-chlorophenyl)-2-(4-ethylphenyl)ethanol
CID 114980844
1-(4-bromo-3-chlorophenyl)-3-methylbut-3-en-1-ol
CID 115816867
1-(3,4-dichlorophenyl)-2-propoxyethanol
CID 62539379
(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine
CID 130699468
1-(4-bromo-3-chlorophenyl)-4-methylpent-4-en-1-ol
CID 115834495
ethyl 2-(4-bromo-3-chlorophenyl)propanoate
CID 105426704
2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol
CID 79568215
1-(4-bromo-3-chlorophenyl)pent-4-yn-1-ol
CID 115799421
1-(3-bromo-2-chlorophenyl)-2-ethoxyethanol
CID 115818734
1-(4-bromo-3-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 115780172
1-bromo-2-chloro-4-propan-2-ylbenzene
CID 20739733

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol (CID 115818736) is 1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol is CCOCC(O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol?
The InChIKey is XXXXPZYYUFBRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-2-14-6-10(13)7-3-4-8(11)9(12)5-7/h3-5,10,13H,2,6H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-ethoxyethanol?
1-(4-bromo-3-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-(4-bromo-3-chlorophenyl)-2-ethoxyethanol is sourced from PubChem (CID 115818736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).