(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate

C22H18O6 — CID 7728035

IUPAC(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1
InChIInChI=1S/C22H18O6/c1-14(23)16-7-9-17(10-8-16)19-11-12-20(28-19)22(25)27-13-15-3-5-18(6-4-15)21(24)26-2/h3-12H,13H2,1-2H3
InChIKeyMWFCQALUIBXLIN-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.29
Rot. Bonds6

About (4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate

(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate (PubChem CID 7728035) has the molecular formula C22H18O6 and a molecular weight of 378.38 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate
PubChem CID7728035
Molecular FormulaC22H18O6
Molecular Weight378.38 g/mol
Exact Mass378.11
IUPAC Name(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1
InChIInChI=1S/C22H18O6/c1-14(23)16-7-9-17(10-8-16)19-11-12-20(28-19)22(25)27-13-15-3-5-18(6-4-15)21(24)26-2/h3-12H,13H2,1-2H3
InChIKeyMWFCQALUIBXLIN-UHFFFAOYSA-N
XLogP4.29
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18080567
[2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727801
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727726
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727824
(4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate
CID 46426101
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727812
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145659
(2-oxo-2-thiophen-2-ylethyl) 5-(4-acetylphenyl)furan-2-carboxylate
CID 7728134
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 18202196
methyl 4-[2-(4-acetylphenoxy)propanoyloxymethyl]benzoate
CID 42899505
methyl 4-[[(2R)-2-(4-acetylphenoxy)propanoyl]oxymethyl]benzoate
CID 41050247

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate (CID 7728035) is (4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate is COC(=O)c1ccc(COC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate?
The InChIKey is MWFCQALUIBXLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O6/c1-14(23)16-7-9-17(10-8-16)19-11-12-20(28-19)22(25)27-13-15-3-5-18(6-4-15)21(24)26-2/h3-12H,13H2,1-2H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate?
(4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate has a molecular weight of 378.38 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 5-(4-acetylphenyl)furan-2-carboxylate is sourced from PubChem (CID 7728035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).