(2,4-dichlorophenyl) furan-2-carboxylate

C11H6Cl2O3 — CID 3880755

IUPAC(2,4-dichlorophenyl) furan-2-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C11H6Cl2O3/c12-7-3-4-9(8(13)6-7)16-11(14)10-2-1-5-15-10/h1-6H
InChIKeyRFTYAVARZFBUHQ-UHFFFAOYSA-N
MW257.07 g/mol
LogP3.81
Rot. Bonds2

About (2,4-dichlorophenyl) furan-2-carboxylate

(2,4-dichlorophenyl) furan-2-carboxylate (PubChem CID 3880755) has the molecular formula C11H6Cl2O3 and a molecular weight of 257.07 g/mol. Its IUPAC name is (2,4-dichlorophenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) furan-2-carboxylate
PubChem CID3880755
Molecular FormulaC11H6Cl2O3
Molecular Weight257.07 g/mol
Exact Mass255.97
IUPAC Name(2,4-dichlorophenyl) furan-2-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C11H6Cl2O3/c12-7-3-4-9(8(13)6-7)16-11(14)10-2-1-5-15-10/h1-6H
InChIKeyRFTYAVARZFBUHQ-UHFFFAOYSA-N
XLogP3.81
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dichloro-2-pyridinyl) furan-2-carboxylate
CID 50876798
(3-chloro-4-pyridinyl) furan-2-carboxylate
CID 23182895
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433
[4-chloro-2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl] furan-2-carboxylate
CID 98280068
[4-chloro-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl] furan-2-carboxylate
CID 98225230
(2,3,4,6-tetrachlorophenyl) furan-2-carboxylate
CID 91700579
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
[3-bromo-4-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
CID 1097530
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 2386762
[1-(furan-2-yl)ethylideneamino] 2,4-dichlorobenzoate
CID 3387380
2-(2,4-dichlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 3158299

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) furan-2-carboxylate?
The IUPAC name of (2,4-dichlorophenyl) furan-2-carboxylate (CID 3880755) is (2,4-dichlorophenyl) furan-2-carboxylate.
What is the SMILES notation for (2,4-dichlorophenyl) furan-2-carboxylate?
The canonical SMILES for (2,4-dichlorophenyl) furan-2-carboxylate is O=C(Oc1ccc(Cl)cc1Cl)c1ccco1.
What is the InChIKey of (2,4-dichlorophenyl) furan-2-carboxylate?
The InChIKey is RFTYAVARZFBUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2O3/c12-7-3-4-9(8(13)6-7)16-11(14)10-2-1-5-15-10/h1-6H.
What are the key properties of (2,4-dichlorophenyl) furan-2-carboxylate?
(2,4-dichlorophenyl) furan-2-carboxylate has a molecular weight of 257.07 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) furan-2-carboxylate is sourced from PubChem (CID 3880755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).