2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol

C16H15Br2FO — CID 66037391

IUPAC2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol
SMILESOCC(Cc1cc(Br)ccc1F)Cc1ccccc1Br
InChIInChI=1S/C16H15Br2FO/c17-14-5-6-16(19)13(9-14)8-11(10-20)7-12-3-1-2-4-15(12)18/h1-6,9,11,20H,7-8,10H2
InChIKeyUJUSHWAXSJIEEP-UHFFFAOYSA-N
MW402.10 g/mol
LogP4.74
Rot. Bonds5

About 2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol

2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol (PubChem CID 66037391) has the molecular formula C16H15Br2FO and a molecular weight of 402.10 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol
PubChem CID66037391
Molecular FormulaC16H15Br2FO
Molecular Weight402.10 g/mol
Exact Mass399.95
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol
SMILESOCC(Cc1cc(Br)ccc1F)Cc1ccccc1Br
InChIInChI=1S/C16H15Br2FO/c17-14-5-6-16(19)13(9-14)8-11(10-20)7-12-3-1-2-4-15(12)18/h1-6,9,11,20H,7-8,10H2
InChIKeyUJUSHWAXSJIEEP-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.10
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-1-fluorobenzene
CID 66040750
2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol
CID 66059383
2-[(3-bromophenyl)methyl]-3-(2-fluorophenyl)propan-1-ol
CID 66059292
2-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060157
2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]-1,4-difluorobenzene
CID 66048611
2-[(2-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
CID 66037859
2-[(2-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049663
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)propan-1-ol
CID 66040471
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060375
1-(5-bromo-2-fluorophenyl)-4-phenylbutan-2-ol
CID 55095424
N-[(2R)-2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide
CID 126454758
N-[2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropyl]-2-ethoxyacetamide
CID 126827192

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol (CID 66037391) is 2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol is OCC(Cc1cc(Br)ccc1F)Cc1ccccc1Br.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol?
The InChIKey is UJUSHWAXSJIEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2FO/c17-14-5-6-16(19)13(9-14)8-11(10-20)7-12-3-1-2-4-15(12)18/h1-6,9,11,20H,7-8,10H2.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol?
2-[(5-bromo-2-fluorophenyl)methyl]-3-(2-bromophenyl)propan-1-ol has a molecular weight of 402.10 g/mol, XLogP of 4.74, 5 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)methyl]-3-(2-bromophenyl)propan-1-ol is sourced from PubChem (CID 66037391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).