5-[(4-chlorophenoxy)methyl]furan-2-carboxylate

C12H8ClO4- — CID 4740544

IUPAC5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H9ClO4/c13-8-1-3-9(4-2-8)16-7-10-5-6-11(17-10)12(14)15/h1-6H,7H2,(H,14,15)/p-1
InChIKeyMPRKNOQRXNTZGV-UHFFFAOYSA-M
MW251.65 g/mol
LogP1.88
Rot. Bonds4

About 5-[(4-chlorophenoxy)methyl]furan-2-carboxylate

5-[(4-chlorophenoxy)methyl]furan-2-carboxylate (PubChem CID 4740544) has the molecular formula C12H8ClO4- and a molecular weight of 251.65 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
PubChem CID4740544
Molecular FormulaC12H8ClO4-
Molecular Weight251.65 g/mol
Exact Mass251.01
IUPAC Name5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
SMILESO=C([O-])c1ccc(COc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H9ClO4/c13-8-1-3-9(4-2-8)16-7-10-5-6-11(17-10)12(14)15/h1-6H,7H2,(H,14,15)/p-1
InChIKeyMPRKNOQRXNTZGV-UHFFFAOYSA-M
XLogP1.88
TPSA62.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.65
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-carboxylatophenoxy)methyl]furan-2-carboxylate
CID 5147336
5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
CID 4290764
N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 717019
methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
CID 7919225
5-[(4-chlorophenoxy)methyl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 19415421
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
5-[(4-chlorophenoxy)methyl]-N-[3-(diethylamino)propyl]furan-2-carboxamide
CID 19415422
5-[(2,4,6-tribromophenoxy)methyl]furan-2-carboxylate
CID 7138860
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62453744
5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7895948
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]furan-2-carboxylate (CID 4740544) is 5-[(4-chlorophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]furan-2-carboxylate is O=C([O-])c1ccc(COc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]furan-2-carboxylate?
The InChIKey is MPRKNOQRXNTZGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9ClO4/c13-8-1-3-9(4-2-8)16-7-10-5-6-11(17-10)12(14)15/h1-6H,7H2,(H,14,15)/p-1.
What are the key properties of 5-[(4-chlorophenoxy)methyl]furan-2-carboxylate?
5-[(4-chlorophenoxy)methyl]furan-2-carboxylate has a molecular weight of 251.65 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 4740544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).