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

C15H13BrClFO — CID 106761227

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2ccc(Br)c(Cl)c2F)cc1
InChIInChI=1S/C15H13BrClFO/c1-9-3-5-10(6-4-9)15(2,19)11-7-8-12(16)13(17)14(11)18/h3-8,19H,1-2H3
InChIKeyICQYKNWZJGXVOR-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.81
Rot. Bonds2

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

1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol (PubChem CID 106761227) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol
PubChem CID106761227
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2ccc(Br)c(Cl)c2F)cc1
InChIInChI=1S/C15H13BrClFO/c1-9-3-5-10(6-4-9)15(2,19)11-7-8-12(16)13(17)14(11)18/h3-8,19H,1-2H3
InChIKeyICQYKNWZJGXVOR-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.62
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 106761513
1-(2-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 60793952
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
(4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol
CID 112743426
1-(2,4-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 62802991
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol
CID 106763756
1-bromo-2-chloro-4-(4-chloro-2-methylpentan-2-yl)-3-fluorobenzene
CID 106763531
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol
CID 106761585
(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
CID 106761323
1-(2-bromophenyl)-1-(4-fluorophenyl)ethanol
CID 60795081
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
CID 107287051
2-(4-bromo-3-chloro-2-fluorophenyl)-1-phenylbutan-2-ol
CID 106761419

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol (CID 106761227) is 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol is Cc1ccc(C(C)(O)c2ccc(Br)c(Cl)c2F)cc1.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol?
The InChIKey is ICQYKNWZJGXVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-9-3-5-10(6-4-9)15(2,19)11-7-8-12(16)13(17)14(11)18/h3-8,19H,1-2H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol?
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol has a molecular weight of 343.62 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 106761227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).