methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate

C13H10Cl2O4 — CID 950139

IUPACmethyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C13H10Cl2O4/c1-17-13(16)11-5-3-9(19-11)7-18-12-6-8(14)2-4-10(12)15/h2-6H,7H2,1H3
InChIKeySUGGFFIUTHZCOF-UHFFFAOYSA-N
MW301.12 g/mol
LogP3.95
Rot. Bonds4

About methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate

methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate (PubChem CID 950139) has the molecular formula C13H10Cl2O4 and a molecular weight of 301.12 g/mol. Its IUPAC name is methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
PubChem CID950139
Molecular FormulaC13H10Cl2O4
Molecular Weight301.12 g/mol
Exact Mass300.00
IUPAC Namemethyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C13H10Cl2O4/c1-17-13(16)11-5-3-9(19-11)7-18-12-6-8(14)2-4-10(12)15/h2-6H,7H2,1H3
InChIKeySUGGFFIUTHZCOF-UHFFFAOYSA-N
XLogP3.95
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylic acid
CID 725870
methyl 3-[[5-[(2,5-dichlorophenoxy)methyl]furan-2-carbonyl]amino]thiophene-2-carboxylate
CID 1009164
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
5-[(2,5-dichlorophenoxy)methyl]-N-[4-(dimethylamino)phenyl]furan-2-carboxamide
CID 1269649
5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1269599
methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
CID 7919225
[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62452227
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
methyl 5-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylate
CID 5124704
methyl 5-[(5-chloro-2-hydroxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2602831
methyl 5-[(2-methoxy-4-methylphenoxy)methyl]furan-2-carboxylate
CID 4193916
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate (CID 950139) is methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1.
What is the InChIKey of methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate?
The InChIKey is SUGGFFIUTHZCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O4/c1-17-13(16)11-5-3-9(19-11)7-18-12-6-8(14)2-4-10(12)15/h2-6H,7H2,1H3.
What are the key properties of methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate?
methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate has a molecular weight of 301.12 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 950139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).