1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol

C17H18BrFO — CID 115788296

IUPAC1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C17H18BrFO/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-8-7-14(19)10-16(15)18/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyRSCOMFSYZAJTNA-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.99
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol

1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 115788296) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID115788296
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C17H18BrFO/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-8-7-14(19)10-16(15)18/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyRSCOMFSYZAJTNA-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608
1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65148286
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788232
(1S)-1-(2-bromo-4-fluorophenyl)butan-1-ol
CID 103920530
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
CID 81473232
1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780374
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63420064
1-(2-bromo-4-fluorophenyl)hexan-1-ol
CID 115784379
(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpropan-1-ol
CID 130739633

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol (CID 115788296) is 1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(CC(O)c2ccc(F)cc2Br)cc1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is RSCOMFSYZAJTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-8-7-14(19)10-16(15)18/h3-8,10-11,17,20H,9H2,1-2H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 337.23 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 115788296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).