azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid

C13H15NO5 — CID 131666805

IUPACazane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
SMILESCOc1ccc(OCc2cc(C(=O)O)co2)cc1.N
InChIInChI=1S/C13H12O5.H3N/c1-16-10-2-4-11(5-3-10)18-8-12-6-9(7-17-12)13(14)15;/h2-7H,8H2,1H3,(H,14,15);1H3
InChIKeyWOMCLQSUKDSGIF-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.73
Rot. Bonds5

About azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid

azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid (PubChem CID 131666805) has the molecular formula C13H15NO5 and a molecular weight of 265.27 g/mol. Its IUPAC name is azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Nameazane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
PubChem CID131666805
Molecular FormulaC13H15NO5
Molecular Weight265.27 g/mol
Exact Mass265.10
IUPAC Nameazane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
SMILESCOc1ccc(OCc2cc(C(=O)O)co2)cc1.N
InChIInChI=1S/C13H12O5.H3N/c1-16-10-2-4-11(5-3-10)18-8-12-6-9(7-17-12)13(14)15;/h2-7H,8H2,1H3,(H,14,15);1H3
InChIKeyWOMCLQSUKDSGIF-UHFFFAOYSA-N
XLogP2.73
TPSA103.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid
CID 62268499
5-[[4-(2-methoxyethyl)phenoxy]methyl]furan-3-carboxylic acid
CID 62269033
5-[(3,4-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 62269914
5-[(4-methoxyanilino)methyl]furan-3-carboxylic acid
CID 113432435
5-[(3-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 55055645
5-[(3,5-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 55055887
2-[(4-methoxyphenoxy)methyl]-1-benzofuran-6-carboxylic acid
CID 117179469
5-[(3-chloro-4-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 102723937
5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104607952
5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid
CID 55055885
5-[(2-methoxy-4-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 62267266
5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide
CID 103568335

Frequently Asked Questions

What is the IUPAC name of azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid (CID 131666805) is azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid is COc1ccc(OCc2cc(C(=O)O)co2)cc1.N.
What is the InChIKey of azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is WOMCLQSUKDSGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O5.H3N/c1-16-10-2-4-11(5-3-10)18-8-12-6-9(7-17-12)13(14)15;/h2-7H,8H2,1H3,(H,14,15);1H3.
What are the key properties of azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid?
azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 131666805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).