5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid

C19H22O5 — CID 140991975

IUPAC5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid
SMILESCCOC(=O)C(C)c1oc(C(=O)O)cc1CCCc1ccccc1
InChIInChI=1S/C19H22O5/c1-3-23-19(22)13(2)17-15(12-16(24-17)18(20)21)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,20,21)
InChIKeyYDJNORXWONEUGV-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.82
Rot. Bonds8

About 5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid

5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid (PubChem CID 140991975) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid
PubChem CID140991975
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid
SMILESCCOC(=O)C(C)c1oc(C(=O)O)cc1CCCc1ccccc1
InChIInChI=1S/C19H22O5/c1-3-23-19(22)13(2)17-15(12-16(24-17)18(20)21)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,20,21)
InChIKeyYDJNORXWONEUGV-UHFFFAOYSA-N
XLogP3.82
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 3-(3-phenylpropyl)furan-2,5-dicarboxylate
CID 141345102
ethyl 5-bromo-3-(3-phenylpropyl)furan-2-carboxylate
CID 141345098
diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
butylbenzene;ethyl carbamate
CID 175305774
ethyl (2S)-2-phenylpropanoate
CID 7204861
(2S)-2-ethoxycarbonyl-10-phenyldecanoic acid
CID 129394808
ethyl 2-acetyl-5-phenylpentanoate
CID 14921745
5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide
CID 63570213
N-benzylethanamine;diethyl 2-methylpropanedioate
CID 142885461
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
ethyl 2-benzoyl-5-phenylpentanoate
CID 57081921

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid (CID 140991975) is 5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid is CCOC(=O)C(C)c1oc(C(=O)O)cc1CCCc1ccccc1.
What is the InChIKey of 5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid?
The InChIKey is YDJNORXWONEUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-3-23-19(22)13(2)17-15(12-16(24-17)18(20)21)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,20,21).
What are the key properties of 5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid?
5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxy-1-oxopropan-2-yl)-4-(3-phenylpropyl)furan-2-carboxylic acid is sourced from PubChem (CID 140991975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).