2-(2-chlorobut-2-enyl)-5-methylfuran

C9H11ClO — CID 174535453

IUPAC2-(2-chlorobut-2-enyl)-5-methylfuran
SMILESCC=C(Cl)Cc1ccc(C)o1
InChIInChI=1S/C9H11ClO/c1-3-8(10)6-9-5-4-7(2)11-9/h3-5H,6H2,1-2H3
InChIKeyGGJUWXOKWQDHMO-UHFFFAOYSA-N
MW170.64 g/mol
LogP3.27
Rot. Bonds2

About 2-(2-chlorobut-2-enyl)-5-methylfuran

2-(2-chlorobut-2-enyl)-5-methylfuran (PubChem CID 174535453) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-(2-chlorobut-2-enyl)-5-methylfuran.

Molecular Properties

Compound Name2-(2-chlorobut-2-enyl)-5-methylfuran
PubChem CID174535453
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name2-(2-chlorobut-2-enyl)-5-methylfuran
SMILESCC=C(Cl)Cc1ccc(C)o1
InChIInChI=1S/C9H11ClO/c1-3-8(10)6-9-5-4-7(2)11-9/h3-5H,6H2,1-2H3
InChIKeyGGJUWXOKWQDHMO-UHFFFAOYSA-N
XLogP3.27
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-methylfuran-2-yl)ethanimidamide
CID 83676174
azane;(5-methylfuran-2-yl)methanol
CID 175565780
2-(2,2-dimethylpropyl)-5-methylfuran
CID 23568486
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
2-[(5-methylfuran-2-yl)methoxy]phenol
CID 43143474
2-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine
CID 62523523
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
(E)-3-chloro-N-[(5-methylfuran-2-yl)methyl]prop-2-en-1-amine
CID 107899890
4-chloro-2-methoxy-6-[[(5-methylfuran-2-yl)methylamino]methyl]phenol
CID 104663860
2,5-dimethylfuran;ethanol
CID 160667580
(5-methylfuran-2-yl)methyl formate
CID 58489131
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorobut-2-enyl)-5-methylfuran?
The IUPAC name of 2-(2-chlorobut-2-enyl)-5-methylfuran (CID 174535453) is 2-(2-chlorobut-2-enyl)-5-methylfuran.
What is the SMILES notation for 2-(2-chlorobut-2-enyl)-5-methylfuran?
The canonical SMILES for 2-(2-chlorobut-2-enyl)-5-methylfuran is CC=C(Cl)Cc1ccc(C)o1.
What is the InChIKey of 2-(2-chlorobut-2-enyl)-5-methylfuran?
The InChIKey is GGJUWXOKWQDHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-3-8(10)6-9-5-4-7(2)11-9/h3-5H,6H2,1-2H3.
What are the key properties of 2-(2-chlorobut-2-enyl)-5-methylfuran?
2-(2-chlorobut-2-enyl)-5-methylfuran has a molecular weight of 170.64 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorobut-2-enyl)-5-methylfuran is sourced from PubChem (CID 174535453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).