2-(4-chloro-3,5-dimethylphenyl)furan

C12H11ClO — CID 168527809

IUPAC2-(4-chloro-3,5-dimethylphenyl)furan
SMILESCc1cc(-c2ccco2)cc(C)c1Cl
InChIInChI=1S/C12H11ClO/c1-8-6-10(7-9(2)12(8)13)11-4-3-5-14-11/h3-7H,1-2H3
InChIKeyHWYKJYZYSGZNLO-UHFFFAOYSA-N
MW206.67 g/mol
LogP4.22
Rot. Bonds1

About 2-(4-chloro-3,5-dimethylphenyl)furan

2-(4-chloro-3,5-dimethylphenyl)furan (PubChem CID 168527809) has the molecular formula C12H11ClO and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenyl)furan.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenyl)furan
PubChem CID168527809
Molecular FormulaC12H11ClO
Molecular Weight206.67 g/mol
Exact Mass206.05
IUPAC Name2-(4-chloro-3,5-dimethylphenyl)furan
SMILESCc1cc(-c2ccco2)cc(C)c1Cl
InChIInChI=1S/C12H11ClO/c1-8-6-10(7-9(2)12(8)13)11-4-3-5-14-11/h3-7H,1-2H3
InChIKeyHWYKJYZYSGZNLO-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

2-(3,5-dichlorophenyl)furan
CID 11557556
2-(4-fluoro-3-methylphenyl)furan
CID 135296198
2-(2-chloro-3-methylphenyl)furan
CID 168528578
5-(furan-2-yl)-N,2-dimethylaniline
CID 68654005
4-chloro-1-[4-(furan-2-yl)phenyl]-3,5-dimethylpyrazole
CID 168527719
ethane;2-(furan-2-yl)furan
CID 161366084
ethane;2-phenylfuran
CID 143157762
4-(furan-2-yl)-1,6-dimethylpyridin-2-one
CID 125449500
2-(4-bromo-5-chloro-2-methylphenyl)furan
CID 168524424
3-(furan-2-yl)-4-methylphenol
CID 131162785
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)phenyl]furan
CID 168524769
2,3-bis(furan-2-yl)-6,7-dimethylquinoxaline
CID 5125983

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenyl)furan?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenyl)furan (CID 168527809) is 2-(4-chloro-3,5-dimethylphenyl)furan.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenyl)furan?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenyl)furan is Cc1cc(-c2ccco2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenyl)furan?
The InChIKey is HWYKJYZYSGZNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO/c1-8-6-10(7-9(2)12(8)13)11-4-3-5-14-11/h3-7H,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylphenyl)furan?
2-(4-chloro-3,5-dimethylphenyl)furan 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 2-(4-chloro-3,5-dimethylphenyl)furan is sourced from PubChem (CID 168527809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).