(2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol

C14H9Br2F3O — CID 81473551

IUPAC(2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol
SMILESCc1cc(Br)c(C(O)c2c(F)cc(F)cc2F)cc1Br
InChIInChI=1S/C14H9Br2F3O/c1-6-2-10(16)8(5-9(6)15)14(20)13-11(18)3-7(17)4-12(13)19/h2-5,14,20H,1H3
InChIKeyZUQZTUYEIWYPGW-UHFFFAOYSA-N
MW410.03 g/mol
LogP5.02
Rot. Bonds2

About (2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol

(2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol (PubChem CID 81473551) has the molecular formula C14H9Br2F3O and a molecular weight of 410.03 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol
PubChem CID81473551
Molecular FormulaC14H9Br2F3O
Molecular Weight410.03 g/mol
Exact Mass407.90
IUPAC Name(2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol
SMILESCc1cc(Br)c(C(O)c2c(F)cc(F)cc2F)cc1Br
InChIInChI=1S/C14H9Br2F3O/c1-6-2-10(16)8(5-9(6)15)14(20)13-11(18)3-7(17)4-12(13)19/h2-5,14,20H,1H3
InChIKeyZUQZTUYEIWYPGW-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.03
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-4-[chloro-(2,4,6-trifluorophenyl)methyl]-2,5-dimethylbenzene
CID 65100197
(2,5-dibromo-4-methylphenyl)-(2,3-difluorophenyl)methanol
CID 81473865
(5-fluoro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 63049832
1,4-dibromo-2-[bromo-(4-bromo-2,6-difluorophenyl)methyl]-5-methylbenzene
CID 81470322
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
(5-chloro-2-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 82883112
(2-fluoro-5-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 62509973
(4-bromo-2,6-difluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794091
(2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 103303216
(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 65100285
(2,5-dibromo-4-methylphenyl)-(4-methylthiophen-3-yl)methanol
CID 81474094
1,4-dibromo-2-[chloro-(3,5-difluorophenyl)methyl]-5-methylbenzene
CID 81473564

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol (CID 81473551) is (2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol is Cc1cc(Br)c(C(O)c2c(F)cc(F)cc2F)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol?
The InChIKey is ZUQZTUYEIWYPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F3O/c1-6-2-10(16)8(5-9(6)15)14(20)13-11(18)3-7(17)4-12(13)19/h2-5,14,20H,1H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol?
(2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol has a molecular weight of 410.03 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 81473551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).