(3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate

C25H28O6 — CID 57386299

IUPAC(3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate
SMILESCCOc1cc(COC(=O)c2ccc(-c3ccc(C)cc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C25H28O6/c1-5-27-22-14-18(15-23(28-6-2)24(22)29-7-3)16-30-25(26)21-13-12-20(31-21)19-10-8-17(4)9-11-19/h8-15H,5-7,16H2,1-4H3
InChIKeyMUQVBEZJIKQJIG-UHFFFAOYSA-N
MW424.49 g/mol
LogP5.81
Rot. Bonds10

About (3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate

(3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate (PubChem CID 57386299) has the molecular formula C25H28O6 and a molecular weight of 424.49 g/mol. Its IUPAC name is (3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name(3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate
PubChem CID57386299
Molecular FormulaC25H28O6
Molecular Weight424.49 g/mol
Exact Mass424.19
IUPAC Name(3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate
SMILESCCOc1cc(COC(=O)c2ccc(-c3ccc(C)cc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C25H28O6/c1-5-27-22-14-18(15-23(28-6-2)24(22)29-7-3)16-30-25(26)21-13-12-20(31-21)19-10-8-17(4)9-11-19/h8-15H,5-7,16H2,1-4H3
InChIKeyMUQVBEZJIKQJIG-UHFFFAOYSA-N
XLogP5.81
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.49
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728035
3,4,5-triethoxy-N-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28675160
1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869610
(4-nitrophenyl)methyl 3,4,5-triethoxybenzoate
CID 3446205
ethyl 3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]benzoate
CID 91682320
ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate
CID 3131522
(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
CID 9095626
ethyl 5-(4-methyl-3-nitrophenyl)furan-2-carboxylate
CID 95911134
[4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate
CID 22095150
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 41388905
1,2,3-triethoxy-5-ethylbenzene
CID 91457664
5-[4-[[2-(4-ethoxy-3-methoxyphenyl)ethylamino]methyl]phenyl]-N-hydroxyfuran-2-carboxamide
CID 58924484

Frequently Asked Questions

What is the IUPAC name of (3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate?
The IUPAC name of (3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate (CID 57386299) is (3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate.
What is the SMILES notation for (3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate?
The canonical SMILES for (3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate is CCOc1cc(COC(=O)c2ccc(-c3ccc(C)cc3)o2)cc(OCC)c1OCC.
What is the InChIKey of (3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate?
The InChIKey is MUQVBEZJIKQJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O6/c1-5-27-22-14-18(15-23(28-6-2)24(22)29-7-3)16-30-25(26)21-13-12-20(31-21)19-10-8-17(4)9-11-19/h8-15H,5-7,16H2,1-4H3.
What are the key properties of (3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate?
(3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate has a molecular weight of 424.49 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-triethoxyphenyl)methyl 5-(4-methylphenyl)furan-2-carboxylate is sourced from PubChem (CID 57386299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).