1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol

C13H11Br3O2 — CID 55180164

IUPAC1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol
SMILESCC(O)Cc1ccc(-c2c(Br)cc(Br)cc2Br)o1
InChIInChI=1S/C13H11Br3O2/c1-7(17)4-9-2-3-12(18-9)13-10(15)5-8(14)6-11(13)16/h2-3,5-7,17H,4H2,1H3
InChIKeyNWAVDLNXNWUQAZ-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.16
Rot. Bonds3

About 1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol

1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol (PubChem CID 55180164) has the molecular formula C13H11Br3O2 and a molecular weight of 438.94 g/mol. Its IUPAC name is 1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol
PubChem CID55180164
Molecular FormulaC13H11Br3O2
Molecular Weight438.94 g/mol
Exact Mass435.83
IUPAC Name1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol
SMILESCC(O)Cc1ccc(-c2c(Br)cc(Br)cc2Br)o1
InChIInChI=1S/C13H11Br3O2/c1-7(17)4-9-2-3-12(18-9)13-10(15)5-8(14)6-11(13)16/h2-3,5-7,17H,4H2,1H3
InChIKeyNWAVDLNXNWUQAZ-UHFFFAOYSA-N
XLogP5.16
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2,4,6-tribromophenyl)furan-2-yl]methanol
CID 60895636
[5-(2,4,6-tribromophenyl)furan-2-yl]methanamine
CID 43155894
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]propan-2-ol
CID 107627214
1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol
CID 104725052
1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63399061
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]propan-2-amine
CID 63086501
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181507
1-[5-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]propan-2-ol
CID 63086333
1-[5-(2-fluorophenyl)furan-2-yl]propan-2-ol
CID 63085835
1-[5-(2-chloro-4-iodophenyl)furan-2-yl]propan-2-ol
CID 107607605
1-[5-(2,3-dimethylphenyl)furan-2-yl]propan-2-ol
CID 63085302
1-[5-(2-propylphenyl)furan-2-yl]propan-2-ol
CID 55180932

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol?
The IUPAC name of 1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol (CID 55180164) is 1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol?
The canonical SMILES for 1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol is CC(O)Cc1ccc(-c2c(Br)cc(Br)cc2Br)o1.
What is the InChIKey of 1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol?
The InChIKey is NWAVDLNXNWUQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br3O2/c1-7(17)4-9-2-3-12(18-9)13-10(15)5-8(14)6-11(13)16/h2-3,5-7,17H,4H2,1H3.
What are the key properties of 1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol?
1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol has a molecular weight of 438.94 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4,6-tribromophenyl)furan-2-yl]propan-2-ol is sourced from PubChem (CID 55180164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).