(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone

C13H11ClO2 — CID 106690970

IUPAC(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(Cl)o2)c1C
InChIInChI=1S/C13H11ClO2/c1-8-4-3-5-10(9(8)2)13(15)11-6-7-12(14)16-11/h3-7H,1-2H3
InChIKeyJWSPANLGGAOPOZ-UHFFFAOYSA-N
MW234.68 g/mol
LogP3.78
Rot. Bonds2

About (5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone

(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone (PubChem CID 106690970) has the molecular formula C13H11ClO2 and a molecular weight of 234.68 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone
PubChem CID106690970
Molecular FormulaC13H11ClO2
Molecular Weight234.68 g/mol
Exact Mass234.04
IUPAC Name(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)c2ccc(Cl)o2)c1C
InChIInChI=1S/C13H11ClO2/c1-8-4-3-5-10(9(8)2)13(15)11-6-7-12(14)16-11/h3-7H,1-2H3
InChIKeyJWSPANLGGAOPOZ-UHFFFAOYSA-N
XLogP3.78
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096201
(2-aminophenyl)-(5-chlorofuran-2-yl)methanone
CID 105478534
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193
(5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone
CID 106690980
(5-chlorofuran-2-yl)-quinolin-8-ylmethanone
CID 106691206
2,3-dimethylbenzoyl iodide
CID 87941796
(2-chloro-4,5-dimethoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683764
(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 106683883
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
(5-chlorofuran-2-yl)-(2,4-dichlorophenyl)methanone
CID 106683803

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone (CID 106690970) is (5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)c2ccc(Cl)o2)c1C.
What is the InChIKey of (5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone?
The InChIKey is JWSPANLGGAOPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2/c1-8-4-3-5-10(9(8)2)13(15)11-6-7-12(14)16-11/h3-7H,1-2H3.
What are the key properties of (5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone?
(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone has a molecular weight of 234.68 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 106690970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).