(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone

C16H17BrO3 — CID 104656982

IUPAC(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(CC)o2)cc1Br
InChIInChI=1S/C16H17BrO3/c1-3-9-19-14-7-5-11(10-13(14)17)16(18)15-8-6-12(4-2)20-15/h5-8,10H,3-4,9H2,1-2H3
InChIKeyBUISYRVSIQHZJZ-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.62
Rot. Bonds6

About (3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone

(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone (PubChem CID 104656982) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is (3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone
PubChem CID104656982
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(CC)o2)cc1Br
InChIInChI=1S/C16H17BrO3/c1-3-9-19-14-7-5-11(10-13(14)17)16(18)15-8-6-12(4-2)20-15/h5-8,10H,3-4,9H2,1-2H3
InChIKeyBUISYRVSIQHZJZ-UHFFFAOYSA-N
XLogP4.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-bromo-4-(2-methoxyethoxy)phenyl]-(5-ethylfuran-2-yl)methanone
CID 104657127
(5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
CID 104657187
(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657090
(3-bromo-4-propoxyphenyl)-(3,5-dichlorophenyl)methanone
CID 104656961
(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone
CID 104656996
(5-ethylfuran-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81283012
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 104657035
(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998416
(3-bromo-4-propoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 104656991
(3-bromo-4-ethoxyphenyl)-(5-nitrofuran-2-yl)methanone
CID 104656903
(3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone
CID 63194528
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone?
The IUPAC name of (3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone (CID 104656982) is (3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for (3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone is CCCOc1ccc(C(=O)c2ccc(CC)o2)cc1Br.
What is the InChIKey of (3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone?
The InChIKey is BUISYRVSIQHZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-3-9-19-14-7-5-11(10-13(14)17)16(18)15-8-6-12(4-2)20-15/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of (3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone?
(3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone has a molecular weight of 337.21 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propoxyphenyl)-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 104656982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).