dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate

C14H11ClO5 — CID 11770872

IUPACdimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate
SMILESCOC(=O)c1coc(-c2ccc(Cl)cc2)c1C(=O)OC
InChIInChI=1S/C14H11ClO5/c1-18-13(16)10-7-20-12(11(10)14(17)19-2)8-3-5-9(15)6-4-8/h3-7H,1-2H3
InChIKeyLBWBTALISRHNQH-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.17
Rot. Bonds3

About dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate

dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate (PubChem CID 11770872) has the molecular formula C14H11ClO5 and a molecular weight of 294.69 g/mol. Its IUPAC name is dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate
PubChem CID11770872
Molecular FormulaC14H11ClO5
Molecular Weight294.69 g/mol
Exact Mass294.03
IUPAC Namedimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate
SMILESCOC(=O)c1coc(-c2ccc(Cl)cc2)c1C(=O)OC
InChIInChI=1S/C14H11ClO5/c1-18-13(16)10-7-20-12(11(10)14(17)19-2)8-3-5-9(15)6-4-8/h3-7H,1-2H3
InChIKeyLBWBTALISRHNQH-UHFFFAOYSA-N
XLogP3.17
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate
CID 141186946
dimethyl 2-(2-methoxycarbonylphenyl)furan-3,4-dicarboxylate
CID 14902064
methyl 4-(4-methylbenzoyl)-2-phenylfuran-3-carboxylate
CID 101099936
dimethyl 2-(2-methylphenyl)furan-3,4-dicarboxylate
CID 141186952
methyl 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 11846342
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 4-(3,4-dimethoxybenzoyl)-5-phenylfuran-3-carboxylate
CID 56955599
dimethyl 2-(4-chlorophenyl)-1-phenylpyrrole-3,4-dicarboxylate
CID 3850963
methyl 2-phenyl-4-(2,3,4-trimethoxybenzoyl)furan-3-carboxylate
CID 56955596
methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate
CID 102035731
dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
CID 15506557
methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane
CID 170705123

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate (CID 11770872) is dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate is COC(=O)c1coc(-c2ccc(Cl)cc2)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate?
The InChIKey is LBWBTALISRHNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO5/c1-18-13(16)10-7-20-12(11(10)14(17)19-2)8-3-5-9(15)6-4-8/h3-7H,1-2H3.
What are the key properties of dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate?
dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate has a molecular weight of 294.69 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate is sourced from PubChem (CID 11770872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).