(2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone

C17H19BrO2 — CID 106851399

IUPAC(2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone
SMILESCCc1cc(CC)c(C(=O)c2ccoc2Br)c(CC)c1
InChIInChI=1S/C17H19BrO2/c1-4-11-9-12(5-2)15(13(6-3)10-11)16(19)14-7-8-20-17(14)18/h7-10H,4-6H2,1-3H3
InChIKeyFNZPSUJRBFOAOP-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.96
Rot. Bonds5

About (2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone

(2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone (PubChem CID 106851399) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone
PubChem CID106851399
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name(2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone
SMILESCCc1cc(CC)c(C(=O)c2ccoc2Br)c(CC)c1
InChIInChI=1S/C17H19BrO2/c1-4-11-9-12(5-2)15(13(6-3)10-11)16(19)14-7-8-20-17(14)18/h7-10H,4-6H2,1-3H3
InChIKeyFNZPSUJRBFOAOP-UHFFFAOYSA-N
XLogP4.96
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromofuran-3-yl)-(3-ethylphenyl)methanone
CID 106856734
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 106851230
(2-bromofuran-3-yl)-(4-butylphenyl)methanone
CID 106851240
2-bromo-N-(4-ethylphenyl)-N-methylfuran-3-carboxamide
CID 106853847
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
1-(2-bromofuran-3-yl)-2-(3-methylphenyl)ethanone
CID 106854616
5-(2-bromofuran-3-carbonyl)furan-2-carboxylic acid
CID 106946933
(2-bromofuran-3-yl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 106851415
2,4,6-triethylbenzoyl iodide
CID 139959913
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone
CID 106851427
1-(2-bromofuran-3-yl)-2-(4-fluorophenyl)ethanone
CID 106854606
1-(2-bromofuran-3-yl)decan-1-one
CID 106856594

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone (CID 106851399) is (2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone is CCc1cc(CC)c(C(=O)c2ccoc2Br)c(CC)c1.
What is the InChIKey of (2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone?
The InChIKey is FNZPSUJRBFOAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-4-11-9-12(5-2)15(13(6-3)10-11)16(19)14-7-8-20-17(14)18/h7-10H,4-6H2,1-3H3.
What are the key properties of (2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone?
(2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone has a molecular weight of 335.24 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(2,4,6-triethylphenyl)methanone is sourced from PubChem (CID 106851399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).