[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol

C15H12BrF3O2 — CID 63051638

IUPAC[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(C(F)(F)F)cc2)c(Br)c1
InChIInChI=1S/C15H12BrF3O2/c16-13-7-11(8-20)3-6-14(13)21-9-10-1-4-12(5-2-10)15(17,18)19/h1-7,20H,8-9H2
InChIKeyZLRXYHZRTMCXJF-UHFFFAOYSA-N
MW361.16 g/mol
LogP4.54
Rot. Bonds4

About [3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol

[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol (PubChem CID 63051638) has the molecular formula C15H12BrF3O2 and a molecular weight of 361.16 g/mol. Its IUPAC name is [3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
PubChem CID63051638
Molecular FormulaC15H12BrF3O2
Molecular Weight361.16 g/mol
Exact Mass360.00
IUPAC Name[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
SMILESOCc1ccc(OCc2ccc(C(F)(F)F)cc2)c(Br)c1
InChIInChI=1S/C15H12BrF3O2/c16-13-7-11(8-20)3-6-14(13)21-9-10-1-4-12(5-2-10)15(17,18)19/h1-7,20H,8-9H2
InChIKeyZLRXYHZRTMCXJF-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
CID 19261601
4-chloro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenol
CID 142618666
2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 63536063
[4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 115512002
5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 63530168
3-[2-bromo-4-(hydroxymethyl)phenoxy]propan-1-ol
CID 63050271
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]hydroxylamine
CID 117493046
[3-bromo-4-[(5-bromothiophen-2-yl)methoxy]phenyl]methanol
CID 55147528
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol?
The IUPAC name of [3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol (CID 63051638) is [3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol is OCc1ccc(OCc2ccc(C(F)(F)F)cc2)c(Br)c1.
What is the InChIKey of [3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol?
The InChIKey is ZLRXYHZRTMCXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O2/c16-13-7-11(8-20)3-6-14(13)21-9-10-1-4-12(5-2-10)15(17,18)19/h1-7,20H,8-9H2.
What are the key properties of [3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol?
[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol has a molecular weight of 361.16 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 63051638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).