4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol

C32H28Br2F6O — CID 160871203

IUPAC4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)ccc2C(F)(F)F)cc1.CCc1ccc(Cc2cc(Br)ccc2C(F)(F)F)cc1
InChIInChI=1S/C16H14BrF3O.C16H14BrF3/c1-2-10-3-5-11(6-4-10)15(21)13-9-12(17)7-8-14(13)16(18,19)20;1-2-11-3-5-12(6-4-11)9-13-10-14(17)7-8-15(13)16(18,19)20/h3-9,15,21H,2H2,1H3;3-8,10H,2,9H2,1H3
InChIKeySLTZHJZYZNZQQC-UHFFFAOYSA-N
MW702.37 g/mol
LogP10.73
Rot. Bonds6

About 4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol

4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol (PubChem CID 160871203) has the molecular formula C32H28Br2F6O and a molecular weight of 702.37 g/mol. Its IUPAC name is 4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol.

Molecular Properties

Compound Name4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol
PubChem CID160871203
Molecular FormulaC32H28Br2F6O
Molecular Weight702.37 g/mol
Exact Mass700.04
IUPAC Name4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)ccc2C(F)(F)F)cc1.CCc1ccc(Cc2cc(Br)ccc2C(F)(F)F)cc1
InChIInChI=1S/C16H14BrF3O.C16H14BrF3/c1-2-10-3-5-11(6-4-10)15(21)13-9-12(17)7-8-14(13)16(18,19)20;1-2-11-3-5-12(6-4-11)9-13-10-14(17)7-8-15(13)16(18,19)20/h3-9,15,21H,2H2,1H3;3-8,10H,2,9H2,1H3
InChIKeySLTZHJZYZNZQQC-UHFFFAOYSA-N
XLogP10.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.37
LogP ≤ 510.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)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

(5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol
CID 114033085
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292014
(4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303353
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965
4-bromo-1-(4-ethylphenyl)sulfanyl-2-(trifluoromethyl)benzene
CID 91877716
(2,5-dibromophenyl)-(4-propylphenyl)methanol
CID 114374739
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63426128
4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene
CID 63439911
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492
(5-bromo-2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 79721941
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol?
The IUPAC name of 4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol (CID 160871203) is 4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol.
What is the SMILES notation for 4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol?
The canonical SMILES for 4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol is CCc1ccc(C(O)c2cc(Br)ccc2C(F)(F)F)cc1.CCc1ccc(Cc2cc(Br)ccc2C(F)(F)F)cc1.
What is the InChIKey of 4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol?
The InChIKey is SLTZHJZYZNZQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF3O.C16H14BrF3/c1-2-10-3-5-11(6-4-10)15(21)13-9-12(17)7-8-14(13)16(18,19)20;1-2-11-3-5-12(6-4-11)9-13-10-14(17)7-8-15(13)16(18,19)20/h3-9,15,21H,2H2,1H3;3-8,10H,2,9H2,1H3.
What are the key properties of 4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol?
4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol has a molecular weight of 702.37 g/mol, XLogP of 10.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol is sourced from PubChem (CID 160871203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).