1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol

C17H18BrFO — CID 115826470

IUPAC1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol
SMILESCCC(c1ccccc1)C(O)Cc1cccc(F)c1Br
InChIInChI=1S/C17H18BrFO/c1-2-14(12-7-4-3-5-8-12)16(20)11-13-9-6-10-15(19)17(13)18/h3-10,14,16,20H,2,11H2,1H3
InChIKeyITJAMOSBPXXMJN-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.69
Rot. Bonds5

About 1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol

1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol (PubChem CID 115826470) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol
PubChem CID115826470
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol
SMILESCCC(c1ccccc1)C(O)Cc1cccc(F)c1Br
InChIInChI=1S/C17H18BrFO/c1-2-14(12-7-4-3-5-8-12)16(20)11-13-9-6-10-15(19)17(13)18/h3-10,14,16,20H,2,11H2,1H3
InChIKeyITJAMOSBPXXMJN-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol (CID 115826470) is 1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol is CCC(c1ccccc1)C(O)Cc1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol?
The InChIKey is ITJAMOSBPXXMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-2-14(12-7-4-3-5-8-12)16(20)11-13-9-6-10-15(19)17(13)18/h3-10,14,16,20H,2,11H2,1H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol?
1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol has a molecular weight of 337.23 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-3-phenylpentan-2-ol is sourced from PubChem (CID 115826470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).