3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde

C11H4Cl4O2 — CID 106888507

IUPAC3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde
SMILESO=Cc1occc1-c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H4Cl4O2/c12-6-3-7(13)10(14)11(15)9(6)5-1-2-17-8(5)4-16/h1-4H
InChIKeyUTLDQNGTCVBIGG-UHFFFAOYSA-N
MW309.96 g/mol
LogP5.37
Rot. Bonds2

About 3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde

3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde (PubChem CID 106888507) has the molecular formula C11H4Cl4O2 and a molecular weight of 309.96 g/mol. Its IUPAC name is 3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde
PubChem CID106888507
Molecular FormulaC11H4Cl4O2
Molecular Weight309.96 g/mol
Exact Mass307.90
IUPAC Name3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde
SMILESO=Cc1occc1-c1c(Cl)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H4Cl4O2/c12-6-3-7(13)10(14)11(15)9(6)5-1-2-17-8(5)4-16/h1-4H
InChIKeyUTLDQNGTCVBIGG-UHFFFAOYSA-N
XLogP5.37
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.96
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(4-Chlorophenyl)-2-furaldehyde
CID 676184
5-(2-Chlorophenyl)furfural
CID 609821
5-(3-Chlorophenyl)furfural
CID 609822
(2E)-1-(3,4-Dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5466621
5-(3-Chloro-2-Methylphenyl)-2-Furaldehyde
CID 700305
5-(2,3-Dichlorophenyl)furan-2-carbaldehyde
CID 689533
5-(2,4-Dichlorophenyl)-2-furaldehyde
CID 674998
(2E)-1-(2,4-Dichlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5761036
5-(3-Chloro-4-methylphenyl)-2-furaldehyde
CID 818550
5-(3,4-Dichlorophenyl)-2-furaldehyde
CID 617688
5-(2,5-Dichlorophenyl)furfural
CID 673673
(1E,4E)-1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one
CID 1106183

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde?
The IUPAC name of 3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde (CID 106888507) is 3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde?
The canonical SMILES for 3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde is O=Cc1occc1-c1c(Cl)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde?
The InChIKey is UTLDQNGTCVBIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl4O2/c12-6-3-7(13)10(14)11(15)9(6)5-1-2-17-8(5)4-16/h1-4H.
What are the key properties of 3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde?
3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde has a molecular weight of 309.96 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,6-tetrachlorophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 106888507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).