1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol

C15H13Br2FO — CID 81473232

IUPAC1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
SMILESCc1cc(Br)c(C(O)Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H13Br2FO/c1-9-6-14(17)12(8-13(9)16)15(19)7-10-2-4-11(18)5-3-10/h2-6,8,15,19H,7H2,1H3
InChIKeyZZESGXVZMRYOIC-UHFFFAOYSA-N
MW388.07 g/mol
LogP4.94
Rot. Bonds3

About 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol

1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol (PubChem CID 81473232) has the molecular formula C15H13Br2FO and a molecular weight of 388.07 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
PubChem CID81473232
Molecular FormulaC15H13Br2FO
Molecular Weight388.07 g/mol
Exact Mass385.93
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
SMILESCc1cc(Br)c(C(O)Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H13Br2FO/c1-9-6-14(17)12(8-13(9)16)15(19)7-10-2-4-11(18)5-3-10/h2-6,8,15,19H,7H2,1H3
InChIKeyZZESGXVZMRYOIC-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.07
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene
CID 81472720
1-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 61087578
1-(2,4-dibromophenyl)-2-(4-fluorophenyl)ethanol
CID 107947257
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018417
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608
1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788296
1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol
CID 81473324
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 65434522
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81473177

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol (CID 81473232) is 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol is Cc1cc(Br)c(C(O)Cc2ccc(F)cc2)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is ZZESGXVZMRYOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FO/c1-9-6-14(17)12(8-13(9)16)15(19)7-10-2-4-11(18)5-3-10/h2-6,8,15,19H,7H2,1H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol?
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol has a molecular weight of 388.07 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 81473232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).