5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid

C15H16O4 — CID 43477171

IUPAC5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1ccc(C)c(OCc2cc(C(=O)O)c(C)o2)c1
InChIInChI=1S/C15H16O4/c1-9-4-5-10(2)14(6-9)18-8-12-7-13(15(16)17)11(3)19-12/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyONVBQALEXDZNRS-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.48
Rot. Bonds4

About 5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid

5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 43477171) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID43477171
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1ccc(C)c(OCc2cc(C(=O)O)c(C)o2)c1
InChIInChI=1S/C15H16O4/c1-9-4-5-10(2)14(6-9)18-8-12-7-13(15(16)17)11(3)19-12/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyONVBQALEXDZNRS-UHFFFAOYSA-N
XLogP3.48
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2-bromophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43476801
2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid
CID 43477195
2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-carboxylic acid
CID 63647950
4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
CID 61379041
5-[(4-bromo-2-cyanophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 83145413
1-[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62453040
N-[[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62453218
5-[(5-fluoro-2-methylphenoxy)methyl]-2-methylfuran-3-carbohydrazide
CID 102987684
2-methyl-5-[(2-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394449
2-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22682108

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid (CID 43477171) is 5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid is Cc1ccc(C)c(OCc2cc(C(=O)O)c(C)o2)c1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is ONVBQALEXDZNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-9-4-5-10(2)14(6-9)18-8-12-7-13(15(16)17)11(3)19-12/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid?
5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 43477171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).