methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate

C15H16O3 — CID 11172591

IUPACmethyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1c(Cc2ccc(C)cc2)coc1C
InChIInChI=1S/C15H16O3/c1-10-4-6-12(7-5-10)8-13-9-18-11(2)14(13)15(16)17-3/h4-7,9H,8H2,1-3H3
InChIKeyJNOHXEXWWUALAO-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.27
Rot. Bonds3

About methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate

methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate (PubChem CID 11172591) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate
PubChem CID11172591
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1c(Cc2ccc(C)cc2)coc1C
InChIInChI=1S/C15H16O3/c1-10-4-6-12(7-5-10)8-13-9-18-11(2)14(13)15(16)17-3/h4-7,9H,8H2,1-3H3
InChIKeyJNOHXEXWWUALAO-UHFFFAOYSA-N
XLogP3.27
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate 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

methyl 4-[(4-bromophenyl)methyl]-2-methylfuran-3-carboxylate
CID 11738390
methyl 2,4-dimethylfuran-3-carboxylate
CID 13102221
methyl 2-[(4-methylphenyl)methyl]-1H-imidazole-5-carboxylate
CID 62331146
methyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methylphenyl)methyl]benzoate
CID 147155433
methyl 5-[(4-methylphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxylate
CID 100793547
2-[(4-methoxycarbonylphenyl)methyl]-4-methylbenzoic acid
CID 20510711
methyl 3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzoate
CID 99965462
methyl 4-[(4-iodofuran-3-yl)methyl]benzoate
CID 10042977
methyl 2-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1-benzofuran-3-carboxylate
CID 157318510
7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one
CID 175976298
1-O-methyl 2-O-[4-[(4-methylphenyl)methyl]phenyl] benzene-1,2-dicarboxylate
CID 22898103
methyl 4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxymethyl]benzoate
CID 2418998

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate (CID 11172591) is methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate is COC(=O)c1c(Cc2ccc(C)cc2)coc1C.
What is the InChIKey of methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate?
The InChIKey is JNOHXEXWWUALAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10-4-6-12(7-5-10)8-13-9-18-11(2)14(13)15(16)17-3/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate?
methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-[(4-methylphenyl)methyl]furan-3-carboxylate is sourced from PubChem (CID 11172591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).