2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid

C16H18O5 — CID 43477195

IUPAC2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid
SMILESCCCOc1ccccc1OCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C16H18O5/c1-3-8-19-14-6-4-5-7-15(14)20-10-12-9-13(16(17)18)11(2)21-12/h4-7,9H,3,8,10H2,1-2H3,(H,17,18)
InChIKeyDICXXIOMKGOWGF-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.65
Rot. Bonds7

About 2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid

2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid (PubChem CID 43477195) has the molecular formula C16H18O5 and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid
PubChem CID43477195
Molecular FormulaC16H18O5
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid
SMILESCCCOc1ccccc1OCc1cc(C(=O)O)c(C)o1
InChIInChI=1S/C16H18O5/c1-3-8-19-14-6-4-5-7-15(14)20-10-12-9-13(16(17)18)11(2)21-12/h4-7,9H,3,8,10H2,1-2H3,(H,17,18)
InChIKeyDICXXIOMKGOWGF-UHFFFAOYSA-N
XLogP3.65
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43476801
2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-carboxylic acid
CID 63647950
2-methyl-5-[(2-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394449
5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43477171
5-[(4-bromo-2-methylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 63213037
2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 43477174
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
[5-methyl-4-[(2-propoxyphenoxy)methyl]furan-2-yl]methanamine
CID 62449992
5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43477198
5-[(2-iodophenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 63569641
5-[(4-bromo-2-cyanophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 83145413
5-[(2-bromophenyl)methoxymethyl]-2-methylfuran-3-carboxylic acid
CID 82828344

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid (CID 43477195) is 2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid is CCCOc1ccccc1OCc1cc(C(=O)O)c(C)o1.
What is the InChIKey of 2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is DICXXIOMKGOWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-3-8-19-14-6-4-5-7-15(14)20-10-12-9-13(16(17)18)11(2)21-12/h4-7,9H,3,8,10H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid?
2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid has a molecular weight of 290.31 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43477195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).