5-benzyl-3-(4-bromophenyl)-3H-furan-2-one

C17H13BrO2 — CID 141059461

IUPAC5-benzyl-3-(4-bromophenyl)-3H-furan-2-one
SMILESO=C1OC(Cc2ccccc2)=CC1c1ccc(Br)cc1
InChIInChI=1S/C17H13BrO2/c18-14-8-6-13(7-9-14)16-11-15(20-17(16)19)10-12-4-2-1-3-5-12/h1-9,11,16H,10H2
InChIKeyORMFHWQUWBOONS-UHFFFAOYSA-N
MW329.19 g/mol
LogP4.22
Rot. Bonds3

About 5-benzyl-3-(4-bromophenyl)-3H-furan-2-one

5-benzyl-3-(4-bromophenyl)-3H-furan-2-one (PubChem CID 141059461) has the molecular formula C17H13BrO2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-benzyl-3-(4-bromophenyl)-3H-furan-2-one.

Molecular Properties

Compound Name5-benzyl-3-(4-bromophenyl)-3H-furan-2-one
PubChem CID141059461
Molecular FormulaC17H13BrO2
Molecular Weight329.19 g/mol
Exact Mass328.01
IUPAC Name5-benzyl-3-(4-bromophenyl)-3H-furan-2-one
SMILESO=C1OC(Cc2ccccc2)=CC1c1ccc(Br)cc1
InChIInChI=1S/C17H13BrO2/c18-14-8-6-13(7-9-14)16-11-15(20-17(16)19)10-12-4-2-1-3-5-12/h1-9,11,16H,10H2
InChIKeyORMFHWQUWBOONS-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane
CID 135762701
1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
CID 101419335
2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
CID 78143475
6-benzylpyran-2,4-dione
CID 146679880
3-benzyl-4-(bromomethyl)furan-2,5-dione
CID 11254515
phenyl(113C)methylbenzene
CID 11194569
(4R,5S)-5-benzyl-4-(4-bromophenyl)-2,2-dimethyloxolane
CID 133064100
methyl (1S)-1-(4-bromophenyl)-1H-benzo[f]chromene-3-carboxylate
CID 102034723
methyl 6-benzyl-4-(4-bromophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 5461443
bromobenzene;cyclohexa-2,5-diene-1,4-dione
CID 174480452
5-benzyl-2-benzofuran-1,3-dione
CID 12658460
(2R,3R,6R)-6-(4-bromophenyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one
CID 146166603

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(4-bromophenyl)-3H-furan-2-one?
The IUPAC name of 5-benzyl-3-(4-bromophenyl)-3H-furan-2-one (CID 141059461) is 5-benzyl-3-(4-bromophenyl)-3H-furan-2-one.
What is the SMILES notation for 5-benzyl-3-(4-bromophenyl)-3H-furan-2-one?
The canonical SMILES for 5-benzyl-3-(4-bromophenyl)-3H-furan-2-one is O=C1OC(Cc2ccccc2)=CC1c1ccc(Br)cc1.
What is the InChIKey of 5-benzyl-3-(4-bromophenyl)-3H-furan-2-one?
The InChIKey is ORMFHWQUWBOONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO2/c18-14-8-6-13(7-9-14)16-11-15(20-17(16)19)10-12-4-2-1-3-5-12/h1-9,11,16H,10H2.
What are the key properties of 5-benzyl-3-(4-bromophenyl)-3H-furan-2-one?
5-benzyl-3-(4-bromophenyl)-3H-furan-2-one has a molecular weight of 329.19 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(4-bromophenyl)-3H-furan-2-one is sourced from PubChem (CID 141059461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).