(2-bromofuran-3-yl)-(3-ethylphenyl)methanone

C13H11BrO2 — CID 106856734

IUPAC(2-bromofuran-3-yl)-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)c2ccoc2Br)c1
InChIInChI=1S/C13H11BrO2/c1-2-9-4-3-5-10(8-9)12(15)11-6-7-16-13(11)14/h3-8H,2H2,1H3
InChIKeyBRQAMTUPVWAJQU-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.84
Rot. Bonds3

About (2-bromofuran-3-yl)-(3-ethylphenyl)methanone

(2-bromofuran-3-yl)-(3-ethylphenyl)methanone (PubChem CID 106856734) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(3-ethylphenyl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(3-ethylphenyl)methanone
PubChem CID106856734
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name(2-bromofuran-3-yl)-(3-ethylphenyl)methanone
SMILESCCc1cccc(C(=O)c2ccoc2Br)c1
InChIInChI=1S/C13H11BrO2/c1-2-9-4-3-5-10(8-9)12(15)11-6-7-16-13(11)14/h3-8H,2H2,1H3
InChIKeyBRQAMTUPVWAJQU-UHFFFAOYSA-N
XLogP3.84
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone
CID 106851399
(2-bromofuran-3-yl)-(4-butylphenyl)methanone
CID 106851240
1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone
CID 106854616
3-ethyl-N-methylbenzamide
CID 59115297
(4-aminophenyl)-(3-ethylphenyl)methanone
CID 116548793
(3,5-dichlorophenyl)-(3-ethylphenyl)methanone
CID 115788788
3-ethylbenzoic acid;propane
CID 177324794
(3-ethylphenyl)-(4-methyl-3-pyridinyl)methanone
CID 114877566
(3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid
CID 130476140
(4-amino-3-fluorophenyl)-(2-bromofuran-3-yl)methanone
CID 106856260
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone
CID 21460946

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(3-ethylphenyl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(3-ethylphenyl)methanone (CID 106856734) is (2-bromofuran-3-yl)-(3-ethylphenyl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(3-ethylphenyl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(3-ethylphenyl)methanone is CCc1cccc(C(=O)c2ccoc2Br)c1.
What is the InChIKey of (2-bromofuran-3-yl)-(3-ethylphenyl)methanone?
The InChIKey is BRQAMTUPVWAJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c1-2-9-4-3-5-10(8-9)12(15)11-6-7-16-13(11)14/h3-8H,2H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(3-ethylphenyl)methanone?
(2-bromofuran-3-yl)-(3-ethylphenyl)methanone has a molecular weight of 279.13 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(3-ethylphenyl)methanone is sourced from PubChem (CID 106856734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).