4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid

C14H14O4 — CID 61379041

IUPAC4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
SMILESCc1ccc(C(=O)O)c(OCc2ccc(C)o2)c1
InChIInChI=1S/C14H14O4/c1-9-3-6-12(14(15)16)13(7-9)17-8-11-5-4-10(2)18-11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyFABAVAMEZVFPKP-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.17
Rot. Bonds4

About 4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid

4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid (PubChem CID 61379041) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
PubChem CID61379041
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
SMILESCc1ccc(C(=O)O)c(OCc2ccc(C)o2)c1
InChIInChI=1S/C14H14O4/c1-9-3-6-12(14(15)16)13(7-9)17-8-11-5-4-10(2)18-11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyFABAVAMEZVFPKP-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

4-methoxy-2-[(5-methylfuran-2-yl)methoxy]benzoic acid
CID 61379364
4-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzoic acid
CID 60651733
5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43477171
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
CID 106861515
4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61379514
4-methyl-2-prop-2-enoxybenzoic acid
CID 23510388
2-(4-bromobutoxy)-4-methylbenzoic acid
CID 19039706
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
2-(3,3-dimethylbutoxy)-4-methylbenzoic acid
CID 61379519
2-(3-ethoxypropoxy)-4-methylbenzoic acid
CID 65176172
4-methyl-2-[2-(2-methylphenoxy)ethoxy]benzoic acid
CID 60651665
2-[(3-bromo-4-fluorophenyl)methoxy]-4-methylbenzoic acid
CID 61037590

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid?
The IUPAC name of 4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid (CID 61379041) is 4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid?
The canonical SMILES for 4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid is Cc1ccc(C(=O)O)c(OCc2ccc(C)o2)c1.
What is the InChIKey of 4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid?
The InChIKey is FABAVAMEZVFPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-9-3-6-12(14(15)16)13(7-9)17-8-11-5-4-10(2)18-11/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid?
4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic 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 4-methyl-2-[(5-methylfuran-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 61379041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).