2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol

C12H14BrFO — CID 171064600

IUPAC2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol
SMILESC=CCc1cc(F)c(C(C)(C)O)c(Br)c1
InChIInChI=1S/C12H14BrFO/c1-4-5-8-6-9(13)11(10(14)7-8)12(2,3)15/h4,6-7,15H,1,5H2,2-3H3
InChIKeyAQDLFGRCLLKHSU-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.54
Rot. Bonds3

About 2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol

2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol (PubChem CID 171064600) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol
PubChem CID171064600
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol
SMILESC=CCc1cc(F)c(C(C)(C)O)c(Br)c1
InChIInChI=1S/C12H14BrFO/c1-4-5-8-6-9(13)11(10(14)7-8)12(2,3)15/h4,6-7,15H,1,5H2,2-3H3
InChIKeyAQDLFGRCLLKHSU-UHFFFAOYSA-N
XLogP3.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3H-benzimidazol-5-yl)-6-fluoro-4-prop-2-enylphenyl]propan-2-ol
CID 171064417
2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol
CID 117113950
2-fluoro-1-methyl-4-prop-2-enylbenzene
CID 2759034
4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117420953
1-ethyl-3,5-bis(prop-2-enyl)benzene
CID 158269021
1-bromo-3,5-difluoro-2-prop-2-enylbenzene
CID 176770194
1-(bromomethyl)-3-methyl-5-prop-2-enylbenzene;ethene
CID 142401295
4-bromo-2-fluoro-1-prop-2-enylbenzene
CID 24722089
2-(4-prop-2-enylphenyl)pent-4-en-2-ol
CID 139253933
2-bromo-4-[2-(bromomethyl)-2-methylbut-3-enyl]-1-fluorobenzene
CID 102642170
1,2,4,5-tetrafluoro-3-prop-2-enylbenzene
CID 12944006
5-prop-2-enylbenzene-1,3-dicarboxylic acid
CID 22022689

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol?
The IUPAC name of 2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol (CID 171064600) is 2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol?
The canonical SMILES for 2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol is C=CCc1cc(F)c(C(C)(C)O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol?
The InChIKey is AQDLFGRCLLKHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c1-4-5-8-6-9(13)11(10(14)7-8)12(2,3)15/h4,6-7,15H,1,5H2,2-3H3.
What are the key properties of 2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol?
2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol has a molecular weight of 273.14 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluoro-4-prop-2-enylphenyl)propan-2-ol is sourced from PubChem (CID 171064600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).