(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate

C14H14O4 — CID 78824404

IUPAC(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate
SMILESCOCc1ccc(C(=O)Oc2ccc(C)cc2)o1
InChIInChI=1S/C14H14O4/c1-10-3-5-11(6-4-10)18-14(15)13-8-7-12(17-13)9-16-2/h3-8H,9H2,1-2H3
InChIKeyWTCKRUQTYZXGKG-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.95
Rot. Bonds4

About (4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate

(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate (PubChem CID 78824404) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is (4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate
PubChem CID78824404
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate
SMILESCOCc1ccc(C(=O)Oc2ccc(C)cc2)o1
InChIInChI=1S/C14H14O4/c1-10-3-5-11(6-4-10)18-14(15)13-8-7-12(17-13)9-16-2/h3-8H,9H2,1-2H3
InChIKeyWTCKRUQTYZXGKG-UHFFFAOYSA-N
XLogP2.95
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-propan-2-ylphenyl) 5-(methoxymethyl)furan-2-carboxylate
CID 78824631
(4-methylphenyl) 5-bromofuran-2-carboxylate
CID 878839
ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
CID 10017085
5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463
bis[5-(4-methylphenoxy)carbonylfuran-2-yl]iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139728851
(4-methylphenyl) 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 86876046
2-[5-(methoxymethyl)furan-2-yl]-2-oxoacetyl chloride
CID 45080964
(2-methoxyphenyl)methyl 5-(methoxymethyl)furan-2-carboxylate
CID 78824904
(4-phenylphenyl) 5-methylfuran-2-carboxylate
CID 16552041
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734
1-O-methyl 2-O-[4-[(4-methylphenyl)methyl]phenyl] benzene-1,2-dicarboxylate
CID 22898103
(3-chloro-5-methylphenyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 113461681

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate?
The IUPAC name of (4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate (CID 78824404) is (4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate.
What is the SMILES notation for (4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate?
The canonical SMILES for (4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate is COCc1ccc(C(=O)Oc2ccc(C)cc2)o1.
What is the InChIKey of (4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate?
The InChIKey is WTCKRUQTYZXGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-10-3-5-11(6-4-10)18-14(15)13-8-7-12(17-13)9-16-2/h3-8H,9H2,1-2H3.
What are the key properties of (4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate?
(4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate has a molecular weight of 246.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 5-(methoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 78824404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).