(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone

C14H13BrO4 — CID 43463104

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone
SMILESCOc1cc(Br)c(C(=O)c2occc2C)cc1OC
InChIInChI=1S/C14H13BrO4/c1-8-4-5-19-14(8)13(16)9-6-11(17-2)12(18-3)7-10(9)15/h4-7H,1-3H3
InChIKeyOMODMHZBVYXVNR-UHFFFAOYSA-N
MW325.16 g/mol
LogP3.60
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone

(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone (PubChem CID 43463104) has the molecular formula C14H13BrO4 and a molecular weight of 325.16 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone
PubChem CID43463104
Molecular FormulaC14H13BrO4
Molecular Weight325.16 g/mol
Exact Mass324.00
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone
SMILESCOc1cc(Br)c(C(=O)c2occc2C)cc1OC
InChIInChI=1S/C14H13BrO4/c1-8-4-5-19-14(8)13(16)9-6-11(17-2)12(18-3)7-10(9)15/h4-7H,1-3H3
InChIKeyOMODMHZBVYXVNR-UHFFFAOYSA-N
XLogP3.60
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463358
(3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 104799584
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114973441
(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone
CID 63942621
(2-bromo-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683733
(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 43161114
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
1-(2-bromo-4,5-dimethoxyphenyl)prop-2-yn-1-one
CID 142747640
(2-bromo-4,5-dimethoxyphenyl)-(2,3-dibromo-4,5-dimethoxyphenyl)methanone
CID 70689517
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone (CID 43463104) is (2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone is COc1cc(Br)c(C(=O)c2occc2C)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone?
The InChIKey is OMODMHZBVYXVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO4/c1-8-4-5-19-14(8)13(16)9-6-11(17-2)12(18-3)7-10(9)15/h4-7H,1-3H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone?
(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone has a molecular weight of 325.16 g/mol, XLogP of 3.60, 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)-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 43463104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).