1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol

C13H13BrO2 — CID 115467175

IUPAC1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol
SMILESCC(O)(Cc1ccccc1Br)c1ccoc1
InChIInChI=1S/C13H13BrO2/c1-13(15,11-6-7-16-9-11)8-10-4-2-3-5-12(10)14/h2-7,9,15H,8H2,1H3
InChIKeyDJQDSFQNJFMOQV-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.49
Rot. Bonds3

About 1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol

1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol (PubChem CID 115467175) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol
PubChem CID115467175
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol
SMILESCC(O)(Cc1ccccc1Br)c1ccoc1
InChIInChI=1S/C13H13BrO2/c1-13(15,11-6-7-16-9-11)8-10-4-2-3-5-12(10)14/h2-7,9,15H,8H2,1H3
InChIKeyDJQDSFQNJFMOQV-UHFFFAOYSA-N
XLogP3.49
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2-phenylpropan-2-ol
CID 60798344
1-(2-chloro-3-fluorophenyl)-2-(furan-3-yl)propan-2-ol
CID 112653159
1-(2-bromophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 60797682
1-(3-bromo-2,6-difluorophenyl)-2-(furan-3-yl)propan-2-ol
CID 106265532
2-(furan-3-yl)butan-2-ol
CID 63948542
1-(2-bromophenyl)-3,3-dimethylbutan-2-one
CID 59617524
1-(2-bromophenyl)-2-methylpentan-2-ol
CID 80557375
1-(3,4-dichlorophenyl)-2-(furan-3-yl)propan-2-ol
CID 115467189
1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one
CID 83172582
[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
CID 156884808
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene
CID 66049057

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol?
The IUPAC name of 1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol (CID 115467175) is 1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol is CC(O)(Cc1ccccc1Br)c1ccoc1.
What is the InChIKey of 1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol?
The InChIKey is DJQDSFQNJFMOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c1-13(15,11-6-7-16-9-11)8-10-4-2-3-5-12(10)14/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol?
1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol has a molecular weight of 281.15 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol is sourced from PubChem (CID 115467175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).