4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid

C20H18O5 — CID 68919722

IUPAC4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
SMILESCOc1cc(OCc2cc(C(=O)O)oc2C)ccc1-c1ccccc1
InChIInChI=1S/C20H18O5/c1-13-15(10-19(25-13)20(21)22)12-24-16-8-9-17(18(11-16)23-2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyNVVDASGBXFTFCO-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.54
Rot. Bonds6

About 4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid

4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 68919722) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
PubChem CID68919722
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
SMILESCOc1cc(OCc2cc(C(=O)O)oc2C)ccc1-c1ccccc1
InChIInChI=1S/C20H18O5/c1-13-15(10-19(25-13)20(21)22)12-24-16-8-9-17(18(11-16)23-2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyNVVDASGBXFTFCO-UHFFFAOYSA-N
XLogP4.54
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'furan_acid_A(4)', 'substructure': 'N/A'}

Analyze 4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 79406595
4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62273259
4-[(2-iodophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62275317
5-methyl-4-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]furan-2-carboxylic acid
CID 18444604
4-[(4-bromo-3-fluorophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 65203374
5-methyl-4-[(3-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 62273090
4-[(2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 22685434
5-methyl-4-[[6-(4-methylphenyl)-3-pyridinyl]oxymethyl]furan-2-carboxylic acid
CID 142927254
5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid
CID 62274131
2-[2-methoxy-4-[[2-methyl-5-(4-methylphenyl)furan-3-yl]methoxy]phenyl]acetic acid
CID 142869564
6-methoxycarbonyl-4-(2-methoxy-4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 67834275

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid (CID 68919722) is 4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid is COc1cc(OCc2cc(C(=O)O)oc2C)ccc1-c1ccccc1.
What is the InChIKey of 4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is NVVDASGBXFTFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c1-13-15(10-19(25-13)20(21)22)12-24-16-8-9-17(18(11-16)23-2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid?
4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 68919722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).