5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate

C13H11O5- — CID 7446735

IUPAC5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate
SMILESCOc1ccccc1OCc1cc(C(=O)[O-])co1
InChIInChI=1S/C13H12O5/c1-16-11-4-2-3-5-12(11)18-8-10-6-9(7-17-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)/p-1
InChIKeyFSDGPLUOJFBNLG-UHFFFAOYSA-M
MW247.23 g/mol
LogP1.23
Rot. Bonds5

About 5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate

5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate (PubChem CID 7446735) has the molecular formula C13H11O5- and a molecular weight of 247.23 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate
PubChem CID7446735
Molecular FormulaC13H11O5-
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate
SMILESCOc1ccccc1OCc1cc(C(=O)[O-])co1
InChIInChI=1S/C13H12O5/c1-16-11-4-2-3-5-12(11)18-8-10-6-9(7-17-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)/p-1
InChIKeyFSDGPLUOJFBNLG-UHFFFAOYSA-M
XLogP1.23
TPSA71.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-ethylphenoxy)methyl]furan-3-carboxylic acid
CID 55055885
5-[(2-methoxy-4-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 62267266
5-[(2-cyanophenoxy)methyl]furan-3-carboxylic acid
CID 62269373
azane;5-[(4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 131666805
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanamine
CID 55077285
5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid
CID 62269776
5-[[(2-methoxyphenyl)methylamino]methyl]furan-3-carboxylic acid
CID 104607925
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
(E)-1-(3,4-dimethoxyphenyl)-3-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19561030
(3R)-3-[[5-[(2-methoxy-4-propylphenoxy)methyl]furan-3-carbonyl]amino]-4-(trimethylazaniumyl)butanoate
CID 25064469
3-ethoxy-4-methoxybenzoate
CID 7020473
methyl 5-[[2-(2-methoxyphenyl)ethylamino]methyl]furan-3-carboxylate
CID 104585813

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate (CID 7446735) is 5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate is COc1ccccc1OCc1cc(C(=O)[O-])co1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate?
The InChIKey is FSDGPLUOJFBNLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12O5/c1-16-11-4-2-3-5-12(11)18-8-10-6-9(7-17-10)13(14)15/h2-7H,8H2,1H3,(H,14,15)/p-1.
What are the key properties of 5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate?
5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate has a molecular weight of 247.23 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]furan-3-carboxylate is sourced from PubChem (CID 7446735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).