1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol

C15H12BrF3O2 — CID 62606496

IUPAC1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1
InChIInChI=1S/C15H12BrF3O2/c16-12-3-1-2-11(9-12)14(20)8-10-4-6-13(7-5-10)21-15(17,18)19/h1-7,9,14,20H,8H2
InChIKeyVRBKYVRWGSWCAX-UHFFFAOYSA-N
MW361.16 g/mol
LogP4.62
Rot. Bonds4

About 1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol

1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 62606496) has the molecular formula C15H12BrF3O2 and a molecular weight of 361.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID62606496
Molecular FormulaC15H12BrF3O2
Molecular Weight361.16 g/mol
Exact Mass360.00
IUPAC Name1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1
InChIInChI=1S/C15H12BrF3O2/c16-12-3-1-2-11(9-12)14(20)8-10-4-6-13(7-5-10)21-15(17,18)19/h1-7,9,14,20H,8H2
InChIKeyVRBKYVRWGSWCAX-UHFFFAOYSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 106695922
2-(2-bromophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918413
2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 65148260
1-(3-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883507
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107104973
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
1-(3-bromophenyl)-3,3,4,4,5,5,5-heptafluoropentan-1-ol
CID 156764796
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107105009

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 62606496) is 1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol is OC(Cc1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is VRBKYVRWGSWCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O2/c16-12-3-1-2-11(9-12)14(20)8-10-4-6-13(7-5-10)21-15(17,18)19/h1-7,9,14,20H,8H2.
What are the key properties of 1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 361.16 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 62606496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).