2-(2,5-dichlorophenyl)-5-methylfuran;ethane

C13H14Cl2O — CID 143821579

IUPAC2-(2,5-dichlorophenyl)-5-methylfuran;ethane
SMILESCC.Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C11H8Cl2O.C2H6/c1-7-2-5-11(14-7)9-6-8(12)3-4-10(9)13;1-2/h2-6H,1H3;1-2H3
InChIKeyOOYDBPTTYAVOTC-UHFFFAOYSA-N
MW257.16 g/mol
LogP5.59
Rot. Bonds1

About 2-(2,5-dichlorophenyl)-5-methylfuran;ethane

2-(2,5-dichlorophenyl)-5-methylfuran;ethane (PubChem CID 143821579) has the molecular formula C13H14Cl2O and a molecular weight of 257.16 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-5-methylfuran;ethane.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-5-methylfuran;ethane
PubChem CID143821579
Molecular FormulaC13H14Cl2O
Molecular Weight257.16 g/mol
Exact Mass256.04
IUPAC Name2-(2,5-dichlorophenyl)-5-methylfuran;ethane
SMILESCC.Cc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C11H8Cl2O.C2H6/c1-7-2-5-11(14-7)9-6-8(12)3-4-10(9)13;1-2/h2-6H,1H3;1-2H3
InChIKeyOOYDBPTTYAVOTC-UHFFFAOYSA-N
XLogP5.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.16
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-methylphenyl)-5-methylfuran
CID 123392462
2-(2-bromo-4-chlorophenyl)-5-methylfuran
CID 54858979
2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one
CID 2017751
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398591
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
4-[[5-(2,5-dichlorophenyl)furan-2-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 126050311
5-(5-chloro-2-methylphenyl)furan-2-carbonitrile
CID 82113987
5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 50883766
2,6-difluoro-3-(5-methylfuran-2-yl)aniline
CID 165455091
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]propanedioate
CID 7430807
N-(diaminomethylidene)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 11483373

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-5-methylfuran;ethane?
The IUPAC name of 2-(2,5-dichlorophenyl)-5-methylfuran;ethane (CID 143821579) is 2-(2,5-dichlorophenyl)-5-methylfuran;ethane.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-5-methylfuran;ethane?
The canonical SMILES for 2-(2,5-dichlorophenyl)-5-methylfuran;ethane is CC.Cc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-5-methylfuran;ethane?
The InChIKey is OOYDBPTTYAVOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O.C2H6/c1-7-2-5-11(14-7)9-6-8(12)3-4-10(9)13;1-2/h2-6H,1H3;1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-5-methylfuran;ethane?
2-(2,5-dichlorophenyl)-5-methylfuran;ethane has a molecular weight of 257.16 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-5-methylfuran;ethane is sourced from PubChem (CID 143821579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).