(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone

C11H9BrO2 — CID 102650842

IUPAC(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h2-6H,1,7H2
InChIKeyKVRCLTYVGCBKHY-UHFFFAOYSA-N
MW253.09 g/mol
LogP2.94
Rot. Bonds2

About (4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone

(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone (PubChem CID 102650842) has the molecular formula C11H9BrO2 and a molecular weight of 253.09 g/mol. Its IUPAC name is (4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone
PubChem CID102650842
Molecular FormulaC11H9BrO2
Molecular Weight253.09 g/mol
Exact Mass251.98
IUPAC Name(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h2-6H,1,7H2
InChIKeyKVRCLTYVGCBKHY-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone
CID 102652392
2,3-dihydrofuran-5-yl(naphthalen-2-yl)methanone
CID 10775502
2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone
CID 102650846
(4-bromophenyl)-(4,5-dihydro-1,3-oxazol-2-yl)methanone
CID 175204444
(2,6-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102651034
2,3-dihydrofuran-5-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 102652415
cyclopenten-1-yl(2,3-dihydrofuran-5-yl)methanone
CID 103448067
4-bromo-N-[(Z)-2,3-dihydrofuran-5-ylmethylideneamino]benzamide
CID 89380473
(2-chlorofuran-3-yl)-(2,3-dihydrofuran-5-yl)methanone
CID 106691362
(2,3-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652719
3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 102646801
2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648499

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of (4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone (CID 102650842) is (4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone is O=C(C1=CCCO1)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is KVRCLTYVGCBKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h2-6H,1,7H2.
What are the key properties of (4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone?
(4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 253.09 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 102650842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).