1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol

C18H20BrFO — CID 106645055

IUPAC1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol
SMILESCCC(CC)(c1ccccc1)C(O)c1cccc(Br)c1F
InChIInChI=1S/C18H20BrFO/c1-3-18(4-2,13-9-6-5-7-10-13)17(21)14-11-8-12-15(19)16(14)20/h5-12,17,21H,3-4H2,1-2H3
InChIKeyGRAPZQDWPIWKMI-UHFFFAOYSA-N
MW351.26 g/mol
LogP5.38
Rot. Bonds5

About 1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol

1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol (PubChem CID 106645055) has the molecular formula C18H20BrFO and a molecular weight of 351.26 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol
PubChem CID106645055
Molecular FormulaC18H20BrFO
Molecular Weight351.26 g/mol
Exact Mass350.07
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol
SMILESCCC(CC)(c1ccccc1)C(O)c1cccc(Br)c1F
InChIInChI=1S/C18H20BrFO/c1-3-18(4-2,13-9-6-5-7-10-13)17(21)14-11-8-12-15(19)16(14)20/h5-12,17,21H,3-4H2,1-2H3
InChIKeyGRAPZQDWPIWKMI-UHFFFAOYSA-N
XLogP5.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.26
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1-(2-methylphenyl)-2-phenylbutan-1-ol
CID 63414226
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
CID 106645113
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 106645115
2-ethyl-1-(5-fluoro-2-methylphenyl)-2-phenylbutan-1-ol
CID 63414401
1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 106647656
1-(3-bromo-2-fluorophenyl)-3,3-dimethylbutane-1,2-diol
CID 106645237
1-(3-bromo-2-fluorophenyl)-3-chloropropane-1,2-diol
CID 171863326
(1R,2S)-1-amino-1-(3-bromo-2-fluorophenyl)butan-2-ol
CID 130785366
1-(3-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 107954002
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
1-(2,3-difluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 63989633

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol (CID 106645055) is 1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol is CCC(CC)(c1ccccc1)C(O)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol?
The InChIKey is GRAPZQDWPIWKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFO/c1-3-18(4-2,13-9-6-5-7-10-13)17(21)14-11-8-12-15(19)16(14)20/h5-12,17,21H,3-4H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol?
1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol has a molecular weight of 351.26 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-ethyl-2-phenylbutan-1-ol is sourced from PubChem (CID 106645055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).