[4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol

C14H10BrF3O2 — CID 115512002

IUPAC[4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESOCc1ccc(Oc2ccc(C(F)(F)F)cc2Br)cc1
InChIInChI=1S/C14H10BrF3O2/c15-12-7-10(14(16,17)18)3-6-13(12)20-11-4-1-9(8-19)2-5-11/h1-7,19H,8H2
InChIKeyXLILJWOIFGSBKL-UHFFFAOYSA-N
MW347.13 g/mol
LogP4.75
Rot. Bonds3

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

[4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol (PubChem CID 115512002) has the molecular formula C14H10BrF3O2 and a molecular weight of 347.13 g/mol. Its IUPAC name is [4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol
PubChem CID115512002
Molecular FormulaC14H10BrF3O2
Molecular Weight347.13 g/mol
Exact Mass345.98
IUPAC Name[4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESOCc1ccc(Oc2ccc(C(F)(F)F)cc2Br)cc1
InChIInChI=1S/C14H10BrF3O2/c15-12-7-10(14(16,17)18)3-6-13(12)20-11-4-1-9(8-19)2-5-11/h1-7,19H,8H2
InChIKeyXLILJWOIFGSBKL-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 61229517
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
4-[2-bromo-4-(trifluoromethyl)phenoxy]-2-methylaniline
CID 115511819
[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
CID 63051638
5-[2-bromo-4-(trifluoromethyl)phenoxy]-2-chlorobenzoic acid
CID 57194158
[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
CID 79403220
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273
[3-bromo-4-(4-tert-butylphenoxy)phenyl]methanamine
CID 82798328
[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 86666206
4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile
CID 115468217
[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 13090688
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277

Frequently Asked Questions

What is the IUPAC name of [4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol?
The IUPAC name of [4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol (CID 115512002) is [4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol is OCc1ccc(Oc2ccc(C(F)(F)F)cc2Br)cc1.
What is the InChIKey of [4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol?
The InChIKey is XLILJWOIFGSBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O2/c15-12-7-10(14(16,17)18)3-6-13(12)20-11-4-1-9(8-19)2-5-11/h1-7,19H,8H2.
What are the key properties of [4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol?
[4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol has a molecular weight of 347.13 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 115512002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).