2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid

C15H16O6 — CID 10685036

IUPAC2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid
SMILESCOc1cccc(C(OC)c2occc2C(=O)O)c1OC
InChIInChI=1S/C15H16O6/c1-18-11-6-4-5-9(12(11)19-2)13(20-3)14-10(15(16)17)7-8-21-14/h4-8,13H,1-3H3,(H,16,17)
InChIKeyFOTVEPYEIPLCNR-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.73
Rot. Bonds6

About 2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid

2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid (PubChem CID 10685036) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid
PubChem CID10685036
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid
SMILESCOc1cccc(C(OC)c2occc2C(=O)O)c1OC
InChIInChI=1S/C15H16O6/c1-18-11-6-4-5-9(12(11)19-2)13(20-3)14-10(15(16)17)7-8-21-14/h4-8,13H,1-3H3,(H,16,17)
InChIKeyFOTVEPYEIPLCNR-UHFFFAOYSA-N
XLogP2.73
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid (CID 10685036) is 2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid is COc1cccc(C(OC)c2occc2C(=O)O)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid?
The InChIKey is FOTVEPYEIPLCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-18-11-6-4-5-9(12(11)19-2)13(20-3)14-10(15(16)17)7-8-21-14/h4-8,13H,1-3H3,(H,16,17).
What are the key properties of 2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid?
2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)-methoxymethyl]furan-3-carboxylic acid is sourced from PubChem (CID 10685036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).