2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol

C15H13BrClFO — CID 115784984

IUPAC2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
SMILESCc1cc(C(O)Cc2cc(Br)ccc2F)ccc1Cl
InChIInChI=1S/C15H13BrClFO/c1-9-6-10(2-4-13(9)17)15(19)8-11-7-12(16)3-5-14(11)18/h2-7,15,19H,8H2,1H3
InChIKeyKYMSSECJKCIGMS-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.83
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol

2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol (PubChem CID 115784984) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
PubChem CID115784984
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
SMILESCc1cc(C(O)Cc2cc(Br)ccc2F)ccc1Cl
InChIInChI=1S/C15H13BrClFO/c1-9-6-10(2-4-13(9)17)15(19)8-11-7-12(16)3-5-14(11)18/h2-7,15,19H,8H2,1H3
InChIKeyKYMSSECJKCIGMS-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol 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-(4-chloro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 114982155
2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 55096088
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
CID 65151121
1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 106695425
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 102867508
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115801912
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115830952
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522
2-(3,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 55134453

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol (CID 115784984) is 2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol is Cc1cc(C(O)Cc2cc(Br)ccc2F)ccc1Cl.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol?
The InChIKey is KYMSSECJKCIGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-9-6-10(2-4-13(9)17)15(19)8-11-7-12(16)3-5-14(11)18/h2-7,15,19H,8H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol has a molecular weight of 343.62 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol is sourced from PubChem (CID 115784984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).