(4-bromophenyl)-(5-methylfuran-3-yl)methanone

C12H9BrO2 — CID 114819423

IUPAC(4-bromophenyl)-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)cc2)co1
InChIInChI=1S/C12H9BrO2/c1-8-6-10(7-15-8)12(14)9-2-4-11(13)5-3-9/h2-7H,1H3
InChIKeyVTXWUHNBNLNWBM-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.58
Rot. Bonds2

About (4-bromophenyl)-(5-methylfuran-3-yl)methanone

(4-bromophenyl)-(5-methylfuran-3-yl)methanone (PubChem CID 114819423) has the molecular formula C12H9BrO2 and a molecular weight of 265.11 g/mol. Its IUPAC name is (4-bromophenyl)-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(5-methylfuran-3-yl)methanone
PubChem CID114819423
Molecular FormulaC12H9BrO2
Molecular Weight265.11 g/mol
Exact Mass263.98
IUPAC Name(4-bromophenyl)-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)cc2)co1
InChIInChI=1S/C12H9BrO2/c1-8-6-10(7-15-8)12(14)9-2-4-11(13)5-3-9/h2-7H,1H3
InChIKeyVTXWUHNBNLNWBM-UHFFFAOYSA-N
XLogP3.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
(4-amino-3-methylphenyl)-(5-methylfuran-3-yl)methanone
CID 114823601
furan-3-yl-(5-methylfuran-3-yl)methanone
CID 114971729
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
(4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone
CID 136882732
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
dibenzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 114819411
(4-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756951
(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-(5-methylfuran-3-yl)methanone
CID 114819642
(4-bromophenyl)-(3,4-dihydroxyphenyl)methanone
CID 23509276
(4-chloro-2,5-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114819640

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(5-methylfuran-3-yl)methanone?
The IUPAC name of (4-bromophenyl)-(5-methylfuran-3-yl)methanone (CID 114819423) is (4-bromophenyl)-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(5-methylfuran-3-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)c2ccc(Br)cc2)co1.
What is the InChIKey of (4-bromophenyl)-(5-methylfuran-3-yl)methanone?
The InChIKey is VTXWUHNBNLNWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2/c1-8-6-10(7-15-8)12(14)9-2-4-11(13)5-3-9/h2-7H,1H3.
What are the key properties of (4-bromophenyl)-(5-methylfuran-3-yl)methanone?
(4-bromophenyl)-(5-methylfuran-3-yl)methanone has a molecular weight of 265.11 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114819423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).