(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone

C13H10BrClO4 — CID 106683733

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
SMILESCOc1cc(Br)c(C(=O)c2ccc(Cl)o2)cc1OC
InChIInChI=1S/C13H10BrClO4/c1-17-10-5-7(8(14)6-11(10)18-2)13(16)9-3-4-12(15)19-9/h3-6H,1-2H3
InChIKeyWGFWXMUYPLYUPR-UHFFFAOYSA-N
MW345.58 g/mol
LogP3.94
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone

(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone (PubChem CID 106683733) has the molecular formula C13H10BrClO4 and a molecular weight of 345.58 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
PubChem CID106683733
Molecular FormulaC13H10BrClO4
Molecular Weight345.58 g/mol
Exact Mass343.95
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
SMILESCOc1cc(Br)c(C(=O)c2ccc(Cl)o2)cc1OC
InChIInChI=1S/C13H10BrClO4/c1-17-10-5-7(8(14)6-11(10)18-2)13(16)9-3-4-12(15)19-9/h3-6H,1-2H3
InChIKeyWGFWXMUYPLYUPR-UHFFFAOYSA-N
XLogP3.94
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683764
(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683799
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
(5-chlorofuran-2-yl)-(2,4-dimethoxyphenyl)methanone
CID 106690992
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084
(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 106683883
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
(2,5-dibromophenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 114368760
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463104
(5-bromo-2-methoxy-3,6-dimethylphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683887

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone (CID 106683733) is (2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone is COc1cc(Br)c(C(=O)c2ccc(Cl)o2)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone?
The InChIKey is WGFWXMUYPLYUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO4/c1-17-10-5-7(8(14)6-11(10)18-2)13(16)9-3-4-12(15)19-9/h3-6H,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone?
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone has a molecular weight of 345.58 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone is sourced from PubChem (CID 106683733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).