(3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone

C13H11BrO3 — CID 43463358

IUPAC(3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2occc2C)cc1Br
InChIInChI=1S/C13H11BrO3/c1-8-5-6-17-13(8)12(15)9-3-4-11(16-2)10(14)7-9/h3-7H,1-2H3
InChIKeyBIBBGRAFFSTBOH-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.59
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone

(3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone (PubChem CID 43463358) has the molecular formula C13H11BrO3 and a molecular weight of 295.13 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone
PubChem CID43463358
Molecular FormulaC13H11BrO3
Molecular Weight295.13 g/mol
Exact Mass293.99
IUPAC Name(3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone
SMILESCOc1ccc(C(=O)c2occc2C)cc1Br
InChIInChI=1S/C13H11BrO3/c1-8-5-6-17-13(8)12(15)9-3-4-11(16-2)10(14)7-9/h3-7H,1-2H3
InChIKeyBIBBGRAFFSTBOH-UHFFFAOYSA-N
XLogP3.59
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463104
(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82814937
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104850964
(3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 104799584
(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114973441
(3-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683749
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(4-fluorophenyl)-(3-methylfuran-2-yl)methanone
CID 43462648
(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone
CID 170985664
(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone
CID 63750525
(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81471530

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone (CID 43463358) is (3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone is COc1ccc(C(=O)c2occc2C)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone?
The InChIKey is BIBBGRAFFSTBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3/c1-8-5-6-17-13(8)12(15)9-3-4-11(16-2)10(14)7-9/h3-7H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone?
(3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone has a molecular weight of 295.13 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 43463358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).