(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

C15H11BrF4O — CID 102751415

IUPAC(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H11BrF4O/c1-8-6-10(15(18,19)20)3-4-11(8)14(21)9-2-5-13(17)12(16)7-9/h2-7,14,21H,1H3
InChIKeyZELPKQJXGLNFCY-UHFFFAOYSA-N
MW363.15 g/mol
LogP5.00
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (PubChem CID 102751415) has the molecular formula C15H11BrF4O and a molecular weight of 363.15 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
PubChem CID102751415
Molecular FormulaC15H11BrF4O
Molecular Weight363.15 g/mol
Exact Mass361.99
IUPAC Name(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H11BrF4O/c1-8-6-10(15(18,19)20)3-4-11(8)14(21)9-2-5-13(17)12(16)7-9/h2-7,14,21H,1H3
InChIKeyZELPKQJXGLNFCY-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
(3-fluoro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107128571
(3-bromo-4-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107955698
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759051
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107560100
[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
CID 102751290
(3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 106886320

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (CID 102751415) is (3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is Cc1cc(C(F)(F)F)ccc1C(O)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZELPKQJXGLNFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF4O/c1-8-6-10(15(18,19)20)3-4-11(8)14(21)9-2-5-13(17)12(16)7-9/h2-7,14,21H,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 363.15 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 102751415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).