5-(3-chlorophenyl)-2,3-dimethylfuran

C12H11ClO — CID 90397375

IUPAC5-(3-chlorophenyl)-2,3-dimethylfuran
SMILESCc1cc(-c2cccc(Cl)c2)oc1C
InChIInChI=1S/C12H11ClO/c1-8-6-12(14-9(8)2)10-4-3-5-11(13)7-10/h3-7H,1-2H3
InChIKeyCKFXOWCOZZAQQG-UHFFFAOYSA-N
MW206.67 g/mol
LogP4.22
Rot. Bonds1

About 5-(3-chlorophenyl)-2,3-dimethylfuran

5-(3-chlorophenyl)-2,3-dimethylfuran (PubChem CID 90397375) has the molecular formula C12H11ClO and a molecular weight of 206.67 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2,3-dimethylfuran.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2,3-dimethylfuran
PubChem CID90397375
Molecular FormulaC12H11ClO
Molecular Weight206.67 g/mol
Exact Mass206.05
IUPAC Name5-(3-chlorophenyl)-2,3-dimethylfuran
SMILESCc1cc(-c2cccc(Cl)c2)oc1C
InChIInChI=1S/C12H11ClO/c1-8-6-12(14-9(8)2)10-4-3-5-11(13)7-10/h3-7H,1-2H3
InChIKeyCKFXOWCOZZAQQG-UHFFFAOYSA-N
XLogP4.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-chlorophenyl)-2-methylfuran-3-carbaldehyde
CID 87480512
6-chloro-2-(3-chlorophenyl)-1-benzofuran
CID 134273119
4-(3-chlorophenyl)-2-methylaniline
CID 23005189
5-(3-chlorophenyl)-3H-1,3-oxazole-2-thione
CID 22425597
6-(3-chlorophenyl)-4-methylsulfonylpyran-2-one
CID 14995779
4-(3-chlorophenyl)-2-methylfuran
CID 69479564
2-(3-chlorophenyl)-8-prop-1-enylchromen-4-one
CID 54322360
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
ethyl 6-(3-chlorophenyl)-4-oxopyran-2-carboxylate
CID 12784904
[5-(3-chlorophenyl)furan-2-yl] acetate
CID 174501169
2-(3-chlorophenyl)-5-[methoxy-(4-methylphenyl)methyl]furan
CID 101452780
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole
CID 143435495

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2,3-dimethylfuran?
The IUPAC name of 5-(3-chlorophenyl)-2,3-dimethylfuran (CID 90397375) is 5-(3-chlorophenyl)-2,3-dimethylfuran.
What is the SMILES notation for 5-(3-chlorophenyl)-2,3-dimethylfuran?
The canonical SMILES for 5-(3-chlorophenyl)-2,3-dimethylfuran is Cc1cc(-c2cccc(Cl)c2)oc1C.
What is the InChIKey of 5-(3-chlorophenyl)-2,3-dimethylfuran?
The InChIKey is CKFXOWCOZZAQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO/c1-8-6-12(14-9(8)2)10-4-3-5-11(13)7-10/h3-7H,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-2,3-dimethylfuran?
5-(3-chlorophenyl)-2,3-dimethylfuran has a molecular weight of 206.67 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2,3-dimethylfuran is sourced from PubChem (CID 90397375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).