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

C13H11BrO2 — CID 83172582

IUPAC1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one
SMILESO=C(Cc1ccoc1)Cc1ccccc1Br
InChIInChI=1S/C13H11BrO2/c14-13-4-2-1-3-11(13)8-12(15)7-10-5-6-16-9-10/h1-6,9H,7-8H2
InChIKeyPWNPQOLFBNGAAW-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.40
Rot. Bonds4

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

1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one (PubChem CID 83172582) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one
PubChem CID83172582
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one
SMILESO=C(Cc1ccoc1)Cc1ccccc1Br
InChIInChI=1S/C13H11BrO2/c14-13-4-2-1-3-11(13)8-12(15)7-10-5-6-16-9-10/h1-6,9H,7-8H2
InChIKeyPWNPQOLFBNGAAW-UHFFFAOYSA-N
XLogP3.40
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158867521
1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol
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1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one
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1-(2-bromophenyl)-2-(furan-3-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one?
The IUPAC name of 1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one (CID 83172582) is 1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one?
The canonical SMILES for 1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one is O=C(Cc1ccoc1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one?
The InChIKey is PWNPQOLFBNGAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c14-13-4-2-1-3-11(13)8-12(15)7-10-5-6-16-9-10/h1-6,9H,7-8H2.
What are the key properties of 1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one?
1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one has a molecular weight of 279.13 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(furan-3-yl)propan-2-one is sourced from PubChem (CID 83172582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).