[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol

C16H14BrF3O — CID 58178558

IUPAC[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)ccc2C(F)(F)F)cc1
InChIInChI=1S/C16H14BrF3O/c1-2-10-3-5-11(6-4-10)15(21)13-9-12(17)7-8-14(13)16(18,19)20/h3-9,15,21H,2H2,1H3
InChIKeyYUTYGFOFTJDIAR-UHFFFAOYSA-N
MW359.19 g/mol
LogP5.11
Rot. Bonds3

About [5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol

[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol (PubChem CID 58178558) has the molecular formula C16H14BrF3O and a molecular weight of 359.19 g/mol. Its IUPAC name is [5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol.

Molecular Properties

Compound Name[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol
PubChem CID58178558
Molecular FormulaC16H14BrF3O
Molecular Weight359.19 g/mol
Exact Mass358.02
IUPAC Name[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)ccc2C(F)(F)F)cc1
InChIInChI=1S/C16H14BrF3O/c1-2-10-3-5-11(6-4-10)15(21)13-9-12(17)7-8-14(13)16(18,19)20/h3-9,15,21H,2H2,1H3
InChIKeyYUTYGFOFTJDIAR-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.19
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 98221
(3-Bromophenyl)(phenyl)methanol
CID 285827
(3-Bromonaphthalen-2-yl)methanol
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1-(3-Bromophenyl)-2,2,2-trifluoroethan-1-ol
CID 23423062
1-(4-Bromophenyl)-2,2,2-trifluoroethanol
CID 11219024
1-(4-Bromophenyl)-2-phenylethan-1-ol
CID 10858776
(Perfluorobutyl)-4-bromophenylmethanol
CID 46217842
1,3-Butanediol, 1-(p-bromophenyl)-2-methyl-3-trifluoromethyl-4,4,4-trifluoro-
CID 36964
(r)-(4-Bromophenyl)(phenyl)methanol
CID 778573
1-(3-Bromo-4-methylphenyl)ethan-1-ol
CID 21940332
1-(4-Bromophenyl)-3,3,3-trifluoropropan-1-ol
CID 53534944
(1S)-1-(4-bromophenyl)-2,2-difluoroethan-1-ol
CID 69269398

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol?
The IUPAC name of [5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol (CID 58178558) is [5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol.
What is the SMILES notation for [5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol?
The canonical SMILES for [5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol is CCc1ccc(C(O)c2cc(Br)ccc2C(F)(F)F)cc1.
What is the InChIKey of [5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol?
The InChIKey is YUTYGFOFTJDIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3O/c1-2-10-3-5-11(6-4-10)15(21)13-9-12(17)7-8-14(13)16(18,19)20/h3-9,15,21H,2H2,1H3.
What are the key properties of [5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol?
[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol has a molecular weight of 359.19 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol is sourced from PubChem (CID 58178558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).