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

C14H14O4 — CID 43477174

IUPAC2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
SMILESCc1cccc(OCc2cc(C(=O)O)c(C)o2)c1
InChIInChI=1S/C14H14O4/c1-9-4-3-5-11(6-9)17-8-12-7-13(14(15)16)10(2)18-12/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyFHKAAXDJCWJHNB-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.17
Rot. Bonds4

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

2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid (PubChem CID 43477174) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
PubChem CID43477174
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
SMILESCc1cccc(OCc2cc(C(=O)O)c(C)o2)c1
InChIInChI=1S/C14H14O4/c1-9-4-3-5-11(6-9)17-8-12-7-13(14(15)16)10(2)18-12/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyFHKAAXDJCWJHNB-UHFFFAOYSA-N
XLogP3.17
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-carbamoylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43477198
5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43477171
2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid
CID 43477195
5-[(2-bromophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43476801
5-[(3-chloro-4-nitrophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 62113250
2-methyl-5-[(2-methylsulfanylphenoxy)methyl]furan-3-carboxylic acid
CID 63647950
2-hydroxy-4-[[5-[(3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoic acid
CID 4899963
2-[3-(3-methylphenoxy)propoxy]benzoic acid
CID 43214606
2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62453419
5-[(4-bromo-2-methylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 63213037
4-[5-methyl-4-[(3-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 53213294
2-methyl-5-[(2-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394449

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid (CID 43477174) is 2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid is Cc1cccc(OCc2cc(C(=O)O)c(C)o2)c1.
What is the InChIKey of 2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is FHKAAXDJCWJHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-9-4-3-5-11(6-9)17-8-12-7-13(14(15)16)10(2)18-12/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid?
2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43477174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).