1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol

C15H13BrClFO — CID 65144946

IUPAC1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Br)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H13BrClFO/c1-15(19,11-3-2-4-13(17)7-11)9-10-5-6-12(16)8-14(10)18/h2-8,19H,9H2,1H3
InChIKeyYBYUTBWUCTWWOF-UHFFFAOYSA-N
MW343.62 g/mol
LogP4.69
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol

1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol (PubChem CID 65144946) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
PubChem CID65144946
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Br)cc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H13BrClFO/c1-15(19,11-3-2-4-13(17)7-11)9-10-5-6-12(16)8-14(10)18/h2-8,19H,9H2,1H3
InChIKeyYBYUTBWUCTWWOF-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol (CID 65144946) is 1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol is CC(O)(Cc1ccc(Br)cc1F)c1cccc(Cl)c1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol?
The InChIKey is YBYUTBWUCTWWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-15(19,11-3-2-4-13(17)7-11)9-10-5-6-12(16)8-14(10)18/h2-8,19H,9H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol?
1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol has a molecular weight of 343.62 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol is sourced from PubChem (CID 65144946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).