2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone

C13H10Cl2O2 — CID 114967171

IUPAC2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Cl)cc2Cl)co1
InChIInChI=1S/C13H10Cl2O2/c1-8-4-10(7-17-8)13(16)5-9-2-3-11(14)6-12(9)15/h2-4,6-7H,5H2,1H3
InChIKeyUNXUESUAOBUGAC-UHFFFAOYSA-N
MW269.13 g/mol
LogP4.32
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone

2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone (PubChem CID 114967171) has the molecular formula C13H10Cl2O2 and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone
PubChem CID114967171
Molecular FormulaC13H10Cl2O2
Molecular Weight269.13 g/mol
Exact Mass268.01
IUPAC Name2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(Cl)cc2Cl)co1
InChIInChI=1S/C13H10Cl2O2/c1-8-4-10(7-17-8)13(16)5-9-2-3-11(14)6-12(9)15/h2-4,6-7H,5H2,1H3
InChIKeyUNXUESUAOBUGAC-UHFFFAOYSA-N
XLogP4.32
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
1-(4-bromo-3-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967193
1-(3-bromo-5-chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 107944354
1-(3-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 81467093
2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821172
2-(2-bromothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanone
CID 131140639
2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 63411541
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-(2,4-dichlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
CID 102033075

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone (CID 114967171) is 2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone is Cc1cc(C(=O)Cc2ccc(Cl)cc2Cl)co1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone?
The InChIKey is UNXUESUAOBUGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2/c1-8-4-10(7-17-8)13(16)5-9-2-3-11(14)6-12(9)15/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone?
2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone has a molecular weight of 269.13 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanone is sourced from PubChem (CID 114967171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).