1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol

C17H18BrFO — CID 63410872

IUPAC1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(F)c(Br)c2)cc1C
InChIInChI=1S/C17H18BrFO/c1-11-3-4-13(7-12(11)2)8-15(20)9-14-5-6-17(19)16(18)10-14/h3-7,10,15,20H,8-9H2,1-2H3
InChIKeyKJSYJWGLLAZGSH-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.35
Rot. Bonds4

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

1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol (PubChem CID 63410872) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
PubChem CID63410872
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(F)c(Br)c2)cc1C
InChIInChI=1S/C17H18BrFO/c1-11-3-4-13(7-12(11)2)8-15(20)9-14-5-6-17(19)16(18)10-14/h3-7,10,15,20H,8-9H2,1-2H3
InChIKeyKJSYJWGLLAZGSH-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol (CID 63410872) is 1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol is Cc1ccc(CC(O)Cc2ccc(F)c(Br)c2)cc1C.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
The InChIKey is KJSYJWGLLAZGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-11-3-4-13(7-12(11)2)8-15(20)9-14-5-6-17(19)16(18)10-14/h3-7,10,15,20H,8-9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol?
1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol has a molecular weight of 337.23 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 63410872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).