(2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate

C14H12O6 — CID 31849790

IUPAC(2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2ccoc2)c(OC)c1
InChIInChI=1S/C14H12O6/c1-17-12-7-9(13(15)18-2)3-4-11(12)20-14(16)10-5-6-19-8-10/h3-8H,1-2H3
InChIKeyKGDKWLGKQZVIQJ-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.29
Rot. Bonds4

About (2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate

(2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate (PubChem CID 31849790) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is (2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate.

Molecular Properties

Compound Name(2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate
PubChem CID31849790
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name(2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2ccoc2)c(OC)c1
InChIInChI=1S/C14H12O6/c1-17-12-7-9(13(15)18-2)3-4-11(12)20-14(16)10-5-6-19-8-10/h3-8H,1-2H3
InChIKeyKGDKWLGKQZVIQJ-UHFFFAOYSA-N
XLogP2.29
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-methoxy-4-(4-methylsulfanylbenzoyl)oxybenzoate
CID 18189723
(2-methoxy-4-methoxycarbonylphenyl) 5-bromopyridine-3-carboxylate
CID 18076718
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate
CID 51265623
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate
CID 8840269
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
(2-methoxy-4-methoxycarbonylphenyl) 1-benzothiophene-2-carboxylate
CID 27845824
methyl 4-amino-3-methoxybenzoate
CID 602411
(2-methoxy-4-methoxycarbonylphenyl) 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate
CID 16572627
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate?
The IUPAC name of (2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate (CID 31849790) is (2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate.
What is the SMILES notation for (2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate?
The canonical SMILES for (2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate is COC(=O)c1ccc(OC(=O)c2ccoc2)c(OC)c1.
What is the InChIKey of (2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate?
The InChIKey is KGDKWLGKQZVIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c1-17-12-7-9(13(15)18-2)3-4-11(12)20-14(16)10-5-6-19-8-10/h3-8H,1-2H3.
What are the key properties of (2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate?
(2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate has a molecular weight of 276.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methoxycarbonylphenyl) furan-3-carboxylate is sourced from PubChem (CID 31849790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).