2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid

C15H16O4 — CID 62550489

IUPAC2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid
SMILESCCCc1ccc(OCc2occc2C(=O)O)cc1
InChIInChI=1S/C15H16O4/c1-2-3-11-4-6-12(7-5-11)19-10-14-13(15(16)17)8-9-18-14/h4-9H,2-3,10H2,1H3,(H,16,17)
InChIKeyNAIJWYDEGIMMBD-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.51
Rot. Bonds6

About 2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid

2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid (PubChem CID 62550489) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid
PubChem CID62550489
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid
SMILESCCCc1ccc(OCc2occc2C(=O)O)cc1
InChIInChI=1S/C15H16O4/c1-2-3-11-4-6-12(7-5-11)19-10-14-13(15(16)17)8-9-18-14/h4-9H,2-3,10H2,1H3,(H,16,17)
InChIKeyNAIJWYDEGIMMBD-UHFFFAOYSA-N
XLogP3.51
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid
CID 823830
2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 43419529
2-[(3,4-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 43419560
ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484801
2-[(4-bromo-3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 83133234
N-methyl-1-[2-[(4-propylphenoxy)methyl]furan-3-yl]methanamine
CID 62548754
2-butylfuran-3-carboxylic acid
CID 10678677
2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 43477550
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376
2-[(3-methyl-4-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394487
2-[(2,4,6-trimethylphenoxy)methyl]furan-3-carboxylic acid
CID 43419459
2-(hexoxymethyl)furan-3-carboxylic acid
CID 43477530

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid (CID 62550489) is 2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid is CCCc1ccc(OCc2occc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is NAIJWYDEGIMMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-2-3-11-4-6-12(7-5-11)19-10-14-13(15(16)17)8-9-18-14/h4-9H,2-3,10H2,1H3,(H,16,17).
What are the key properties of 2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid?
2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62550489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).