5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid

C15H14O5 — CID 106946853

IUPAC5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
SMILESCOc1ccc(CCC(=O)c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C15H14O5/c1-19-11-5-2-10(3-6-11)4-7-12(16)13-8-9-14(20-13)15(17)18/h2-3,5-6,8-9H,4,7H2,1H3,(H,17,18)
InChIKeyVFTFUGTUBKBTLM-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.80
Rot. Bonds6

About 5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid

5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid (PubChem CID 106946853) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
PubChem CID106946853
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
SMILESCOc1ccc(CCC(=O)c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C15H14O5/c1-19-11-5-2-10(3-6-11)4-7-12(16)13-8-9-14(20-13)15(17)18/h2-3,5-6,8-9H,4,7H2,1H3,(H,17,18)
InChIKeyVFTFUGTUBKBTLM-UHFFFAOYSA-N
XLogP2.80
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
CID 71336730
5-pentanoylfuran-2-carboxylic acid
CID 97034823
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65444925
3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one
CID 104799534
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one
CID 166438923
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid
CID 70420158
5-[(4-methoxyphenyl)methylsulfonyl]furan-2-carboxylic acid
CID 63941435
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid (CID 106946853) is 5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid is COc1ccc(CCC(=O)c2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid?
The InChIKey is VFTFUGTUBKBTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-19-11-5-2-10(3-6-11)4-7-12(16)13-8-9-14(20-13)15(17)18/h2-3,5-6,8-9H,4,7H2,1H3,(H,17,18).
What are the key properties of 5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid?
5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid is sourced from PubChem (CID 106946853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).