[2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol

C15H12BrF3O2 — CID 19261601

IUPAC[2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
SMILESOCc1c(Br)cccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12BrF3O2/c16-13-2-1-3-14(12(13)8-20)21-9-10-4-6-11(7-5-10)15(17,18)19/h1-7,20H,8-9H2
InChIKeyUUNVTELAFKYUNJ-UHFFFAOYSA-N
MW361.16 g/mol
LogP4.54
Rot. Bonds4

About [2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol

[2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol (PubChem CID 19261601) has the molecular formula C15H12BrF3O2 and a molecular weight of 361.16 g/mol. Its IUPAC name is [2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
PubChem CID19261601
Molecular FormulaC15H12BrF3O2
Molecular Weight361.16 g/mol
Exact Mass360.00
IUPAC Name[2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
SMILESOCc1c(Br)cccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12BrF3O2/c16-13-2-1-3-14(12(13)8-20)21-9-10-4-6-11(7-5-10)15(17,18)19/h1-7,20H,8-9H2
InChIKeyUUNVTELAFKYUNJ-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

[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
CID 63051638
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
[2-[(3-bromo-4-fluorophenyl)methoxy]-6-chlorophenyl]methanol
CID 114320554
2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 18525684
2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 172993950
1-(bromomethyl)-4-(trifluoromethyl)benzene;2-methylphenol;1-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 157147743
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
4-[[4-(trifluoromethyl)phenyl]methoxy]-9H-carbazole
CID 175538568
2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline
CID 67980760
[3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol
CID 63533381
1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 18551352

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol?
The IUPAC name of [2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol (CID 19261601) is [2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol.
What is the SMILES notation for [2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol?
The canonical SMILES for [2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol is OCc1c(Br)cccc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol?
The InChIKey is UUNVTELAFKYUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF3O2/c16-13-2-1-3-14(12(13)8-20)21-9-10-4-6-11(7-5-10)15(17,18)19/h1-7,20H,8-9H2.
What are the key properties of [2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol?
[2-bromo-6-[[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 [2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol is sourced from PubChem (CID 19261601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).