3-[(Z)-2-(chloromethyl)but-1-enyl]furan

C9H11ClO — CID 131350500

IUPAC3-[(Z)-2-(chloromethyl)but-1-enyl]furan
SMILESCC/C(=C/c1ccoc1)CCl
InChIInChI=1S/C9H11ClO/c1-2-8(6-10)5-9-3-4-11-7-9/h3-5,7H,2,6H2,1H3/b8-5-
InChIKeyGTCGDKRJUAUKGG-YVMONPNESA-N
MW170.64 g/mol
LogP3.31
Rot. Bonds3

About 3-[(Z)-2-(chloromethyl)but-1-enyl]furan

3-[(Z)-2-(chloromethyl)but-1-enyl]furan (PubChem CID 131350500) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 3-[(Z)-2-(chloromethyl)but-1-enyl]furan.

Molecular Properties

Compound Name3-[(Z)-2-(chloromethyl)but-1-enyl]furan
PubChem CID131350500
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name3-[(Z)-2-(chloromethyl)but-1-enyl]furan
SMILESCC/C(=C/c1ccoc1)CCl
InChIInChI=1S/C9H11ClO/c1-2-8(6-10)5-9-3-4-11-7-9/h3-5,7H,2,6H2,1H3/b8-5-
InChIKeyGTCGDKRJUAUKGG-YVMONPNESA-N
XLogP3.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(chloromethyl)but-1-enyl]furan?
The IUPAC name of 3-[(Z)-2-(chloromethyl)but-1-enyl]furan (CID 131350500) is 3-[(Z)-2-(chloromethyl)but-1-enyl]furan.
What is the SMILES notation for 3-[(Z)-2-(chloromethyl)but-1-enyl]furan?
The canonical SMILES for 3-[(Z)-2-(chloromethyl)but-1-enyl]furan is CC/C(=C/c1ccoc1)CCl.
What is the InChIKey of 3-[(Z)-2-(chloromethyl)but-1-enyl]furan?
The InChIKey is GTCGDKRJUAUKGG-YVMONPNESA-N. The full InChI is InChI=1S/C9H11ClO/c1-2-8(6-10)5-9-3-4-11-7-9/h3-5,7H,2,6H2,1H3/b8-5-.
What are the key properties of 3-[(Z)-2-(chloromethyl)but-1-enyl]furan?
3-[(Z)-2-(chloromethyl)but-1-enyl]furan has a molecular weight of 170.64 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(chloromethyl)but-1-enyl]furan is sourced from PubChem (CID 131350500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).