ethane;3-(5-phenacylfuran-2-yl)propanoic acid

C17H20O4 — CID 143696693

IUPACethane;3-(5-phenacylfuran-2-yl)propanoic acid
SMILESCC.O=C(O)CCc1ccc(CC(=O)c2ccccc2)o1
InChIInChI=1S/C15H14O4.C2H6/c16-14(11-4-2-1-3-5-11)10-13-7-6-12(19-13)8-9-15(17)18;1-2/h1-7H,8-10H2,(H,17,18);1-2H3
InChIKeyQTAXICMHIPXEQG-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.75
Rot. Bonds6

About ethane;3-(5-phenacylfuran-2-yl)propanoic acid

ethane;3-(5-phenacylfuran-2-yl)propanoic acid (PubChem CID 143696693) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethane;3-(5-phenacylfuran-2-yl)propanoic acid.

Molecular Properties

Compound Nameethane;3-(5-phenacylfuran-2-yl)propanoic acid
PubChem CID143696693
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Nameethane;3-(5-phenacylfuran-2-yl)propanoic acid
SMILESCC.O=C(O)CCc1ccc(CC(=O)c2ccccc2)o1
InChIInChI=1S/C15H14O4.C2H6/c16-14(11-4-2-1-3-5-11)10-13-7-6-12(19-13)8-9-15(17)18;1-2/h1-7H,8-10H2,(H,17,18);1-2H3
InChIKeyQTAXICMHIPXEQG-UHFFFAOYSA-N
XLogP3.75
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(5-phenacylfuran-2-yl)propan-2-one
CID 57381075
3-(5-sulfanylfuran-2-yl)propanoic acid
CID 119087453
3-(5-benzoyl-2-hydroxyphenyl)propanoic acid
CID 14089152
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
1-[5-[2-(4-methylphenyl)-2-oxoethyl]furan-2-yl]propan-2-one
CID 44551230
phenacyl 3-(5-phenylfuran-2-yl)propanoate
CID 40689141
2-dimethylphosphoryl-1-phenylethanone
CID 555432
molecular hydrogen;1-phenylbutan-1-one
CID 142208814
2-(5-amino-2,4-difluorophenyl)-1-phenylethanone;ethane
CID 169208742
butanoic acid;2-hydroxy-1-phenylethanone
CID 175969128
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
CID 134858282
3-[5-(2-chlorophenoxy)furan-2-yl]propanoic acid
CID 28814865

Frequently Asked Questions

What is the IUPAC name of ethane;3-(5-phenacylfuran-2-yl)propanoic acid?
The IUPAC name of ethane;3-(5-phenacylfuran-2-yl)propanoic acid (CID 143696693) is ethane;3-(5-phenacylfuran-2-yl)propanoic acid.
What is the SMILES notation for ethane;3-(5-phenacylfuran-2-yl)propanoic acid?
The canonical SMILES for ethane;3-(5-phenacylfuran-2-yl)propanoic acid is CC.O=C(O)CCc1ccc(CC(=O)c2ccccc2)o1.
What is the InChIKey of ethane;3-(5-phenacylfuran-2-yl)propanoic acid?
The InChIKey is QTAXICMHIPXEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4.C2H6/c16-14(11-4-2-1-3-5-11)10-13-7-6-12(19-13)8-9-15(17)18;1-2/h1-7H,8-10H2,(H,17,18);1-2H3.
What are the key properties of ethane;3-(5-phenacylfuran-2-yl)propanoic acid?
ethane;3-(5-phenacylfuran-2-yl)propanoic acid has a molecular weight of 288.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(5-phenacylfuran-2-yl)propanoic acid is sourced from PubChem (CID 143696693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).