(5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone

C14H13BrO3 — CID 82095027

IUPAC(5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C14H13BrO3/c1-8-7-12(17-3)9(2)6-10(8)14(16)11-4-5-13(15)18-11/h4-7H,1-3H3
InChIKeyOESHVZLPIFPOOK-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.90
Rot. Bonds3

About (5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone

(5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 82095027) has the molecular formula C14H13BrO3 and a molecular weight of 309.16 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID82095027
Molecular FormulaC14H13BrO3
Molecular Weight309.16 g/mol
Exact Mass308.00
IUPAC Name(5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C14H13BrO3/c1-8-7-12(17-3)9(2)6-10(8)14(16)11-4-5-13(15)18-11/h4-7H,1-3H3
InChIKeyOESHVZLPIFPOOK-UHFFFAOYSA-N
XLogP3.90
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromofuran-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681869
(4-amino-3-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 104785062
(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43462525
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 103394164
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(5-bromofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanone
CID 115792767
(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797912
(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 114894253
5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide
CID 110793657
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131
(5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone
CID 106860843
(5-bromofuran-2-yl)-[3-bromo-4-(2-methoxyethoxy)phenyl]methanone
CID 104657187

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone (CID 82095027) is (5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)c2ccc(Br)o2)cc1C.
What is the InChIKey of (5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is OESHVZLPIFPOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3/c1-8-7-12(17-3)9(2)6-10(8)14(16)11-4-5-13(15)18-11/h4-7H,1-3H3.
What are the key properties of (5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone?
(5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone has a molecular weight of 309.16 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 82095027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).