3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one

C14H15BrO5 — CID 141343674

IUPAC3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one
SMILESCOc1ccc(C2=C(OCCBr)COC2=O)cc1OC
InChIInChI=1S/C14H15BrO5/c1-17-10-4-3-9(7-11(10)18-2)13-12(19-6-5-15)8-20-14(13)16/h3-4,7H,5-6,8H2,1-2H3
InChIKeyHGIQCHJAMXMXGV-UHFFFAOYSA-N
MW343.17 g/mol
LogP2.38
Rot. Bonds6

About 3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one

3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one (PubChem CID 141343674) has the molecular formula C14H15BrO5 and a molecular weight of 343.17 g/mol. Its IUPAC name is 3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one
PubChem CID141343674
Molecular FormulaC14H15BrO5
Molecular Weight343.17 g/mol
Exact Mass342.01
IUPAC Name3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one
SMILESCOc1ccc(C2=C(OCCBr)COC2=O)cc1OC
InChIInChI=1S/C14H15BrO5/c1-17-10-4-3-9(7-11(10)18-2)13-12(19-6-5-15)8-20-14(13)16/h3-4,7H,5-6,8H2,1-2H3
InChIKeyHGIQCHJAMXMXGV-UHFFFAOYSA-N
XLogP2.38
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-azido-4-(3,4-dimethoxyphenyl)-2H-furan-5-one
CID 10848969
4-(3,4-dimethoxyphenyl)-3-(2-methoxyanilino)-2H-furan-5-one
CID 139081940
3-(3,4-dimethoxyphenyl)-4-naphthalen-1-yl-2H-furan-5-one
CID 125282222
7-(3-bromopropoxy)-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 69029207
4-(4-bromophenyl)-3-(2-morpholin-4-ylethoxy)-2H-furan-5-one
CID 56680194
3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-phenyl-2H-furan-5-one
CID 56680191
9-(3,4-dimethoxyphenyl)-4-hydroxy-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one
CID 10500931
3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione
CID 10781237
3-(4-methoxy-3-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)-2H-furan-5-one
CID 11850777
methyl (2E)-2-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetate
CID 54675942
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
3-(3,4-dimethoxyphenyl)-1,2-dihydropyrrol-5-one
CID 10466009

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one?
The IUPAC name of 3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one (CID 141343674) is 3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one?
The canonical SMILES for 3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one is COc1ccc(C2=C(OCCBr)COC2=O)cc1OC.
What is the InChIKey of 3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one?
The InChIKey is HGIQCHJAMXMXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO5/c1-17-10-4-3-9(7-11(10)18-2)13-12(19-6-5-15)8-20-14(13)16/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one?
3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one has a molecular weight of 343.17 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethoxy)-4-(3,4-dimethoxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 141343674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).