1,3-bis(5-phenacylfuran-2-yl)propan-2-one

C27H22O5 — CID 57381075

IUPAC1,3-bis(5-phenacylfuran-2-yl)propan-2-one
SMILESO=C(Cc1ccc(CC(=O)c2ccccc2)o1)Cc1ccc(CC(=O)c2ccccc2)o1
InChIInChI=1S/C27H22O5/c28-21(15-22-11-13-24(31-22)17-26(29)19-7-3-1-4-8-19)16-23-12-14-25(32-23)18-27(30)20-9-5-2-6-10-20/h1-14H,15-18H2
InChIKeyPFJCGBIEVRQLLT-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.08
Rot. Bonds10

About 1,3-bis(5-phenacylfuran-2-yl)propan-2-one

1,3-bis(5-phenacylfuran-2-yl)propan-2-one (PubChem CID 57381075) has the molecular formula C27H22O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 1,3-bis(5-phenacylfuran-2-yl)propan-2-one.

Molecular Properties

Compound Name1,3-bis(5-phenacylfuran-2-yl)propan-2-one
PubChem CID57381075
Molecular FormulaC27H22O5
Molecular Weight426.47 g/mol
Exact Mass426.15
IUPAC Name1,3-bis(5-phenacylfuran-2-yl)propan-2-one
SMILESO=C(Cc1ccc(CC(=O)c2ccccc2)o1)Cc1ccc(CC(=O)c2ccccc2)o1
InChIInChI=1S/C27H22O5/c28-21(15-22-11-13-24(31-22)17-26(29)19-7-3-1-4-8-19)16-23-12-14-25(32-23)18-27(30)20-9-5-2-6-10-20/h1-14H,15-18H2
InChIKeyPFJCGBIEVRQLLT-UHFFFAOYSA-N
XLogP5.08
TPSA77.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;3-(5-phenacylfuran-2-yl)propanoic acid
CID 143696693
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1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one
CID 44551230
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
CID 134858282
1,2-diphenylethanone;diphenylmethanone
CID 141067729
benzene;2-hydroxy-1-phenylethanone
CID 174663024
2-[4-(4-hydroxyphenyl)phenyl]-1-phenylethanone
CID 82541267
2-(5-ethylfuran-2-yl)-1-(4-methoxyphenyl)ethanone
CID 154926215
2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone
CID 130707408
CID 173152165
CID 173152165

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(5-phenacylfuran-2-yl)propan-2-one?
The IUPAC name of 1,3-bis(5-phenacylfuran-2-yl)propan-2-one (CID 57381075) is 1,3-bis(5-phenacylfuran-2-yl)propan-2-one.
What is the SMILES notation for 1,3-bis(5-phenacylfuran-2-yl)propan-2-one?
The canonical SMILES for 1,3-bis(5-phenacylfuran-2-yl)propan-2-one is O=C(Cc1ccc(CC(=O)c2ccccc2)o1)Cc1ccc(CC(=O)c2ccccc2)o1.
What is the InChIKey of 1,3-bis(5-phenacylfuran-2-yl)propan-2-one?
The InChIKey is PFJCGBIEVRQLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O5/c28-21(15-22-11-13-24(31-22)17-26(29)19-7-3-1-4-8-19)16-23-12-14-25(32-23)18-27(30)20-9-5-2-6-10-20/h1-14H,15-18H2.
What are the key properties of 1,3-bis(5-phenacylfuran-2-yl)propan-2-one?
1,3-bis(5-phenacylfuran-2-yl)propan-2-one has a molecular weight of 426.47 g/mol, XLogP of 5.08, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(5-phenacylfuran-2-yl)propan-2-one is sourced from PubChem (CID 57381075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).