1-(2-bromo-3-fluorophenyl)-2-propoxyethanol

C11H14BrFO2 — CID 115818859

IUPAC1-(2-bromo-3-fluorophenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1cccc(F)c1Br
InChIInChI=1S/C11H14BrFO2/c1-2-6-15-7-10(14)8-4-3-5-9(13)11(8)12/h3-5,10,14H,2,6-7H2,1H3
InChIKeyAHBXMVHWCZPATO-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.05
Rot. Bonds5

About 1-(2-bromo-3-fluorophenyl)-2-propoxyethanol

1-(2-bromo-3-fluorophenyl)-2-propoxyethanol (PubChem CID 115818859) has the molecular formula C11H14BrFO2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-2-propoxyethanol.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-2-propoxyethanol
PubChem CID115818859
Molecular FormulaC11H14BrFO2
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name1-(2-bromo-3-fluorophenyl)-2-propoxyethanol
SMILESCCCOCC(O)c1cccc(F)c1Br
InChIInChI=1S/C11H14BrFO2/c1-2-6-15-7-10(14)8-4-3-5-9(13)11(8)12/h3-5,10,14H,2,6-7H2,1H3
InChIKeyAHBXMVHWCZPATO-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-3,4-difluorophenyl)-2-propoxyethanol
CID 107538296
1-(2-bromo-3-fluorophenyl)butan-1-ol
CID 58572720
1-(3-bromo-2-methylphenyl)-2-propoxyethanol
CID 115818912
2-propoxy-1-(2,3,4-trifluorophenyl)ethanol
CID 62964280
1-(2-chloro-6-fluorophenyl)-2-propoxyethanol
CID 79567112
1-(2-methylphenyl)-2-(2-propoxyethoxy)ethanol
CID 55233858
1-(2,3-dimethoxyphenyl)-2-propoxyethanol
CID 79567810
1-(2-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 81304349
1-(2-bromo-3-fluorophenyl)hex-4-yn-1-ol
CID 115833631
1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol
CID 115828339
1-(2-bromo-3-fluorophenyl)pent-4-yn-1-ol
CID 115799381
1-(2-bromo-3-fluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832698

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-propoxyethanol?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-propoxyethanol (CID 115818859) is 1-(2-bromo-3-fluorophenyl)-2-propoxyethanol.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-2-propoxyethanol?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-2-propoxyethanol is CCCOCC(O)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-2-propoxyethanol?
The InChIKey is AHBXMVHWCZPATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO2/c1-2-6-15-7-10(14)8-4-3-5-9(13)11(8)12/h3-5,10,14H,2,6-7H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-2-propoxyethanol?
1-(2-bromo-3-fluorophenyl)-2-propoxyethanol has a molecular weight of 277.13 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-2-propoxyethanol is sourced from PubChem (CID 115818859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).