2-(3-chloropropyl)-5-methylfuran

C8H11ClO — CID 12920829

IUPAC2-(3-chloropropyl)-5-methylfuran
SMILESCc1ccc(CCCCl)o1
InChIInChI=1S/C8H11ClO/c1-7-4-5-8(10-7)3-2-6-9/h4-5H,2-3,6H2,1H3
InChIKeyIFAPJVDWDVKWSH-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.76
Rot. Bonds3

About 2-(3-chloropropyl)-5-methylfuran

2-(3-chloropropyl)-5-methylfuran (PubChem CID 12920829) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-methylfuran.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-methylfuran
PubChem CID12920829
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name2-(3-chloropropyl)-5-methylfuran
SMILESCc1ccc(CCCCl)o1
InChIInChI=1S/C8H11ClO/c1-7-4-5-8(10-7)3-2-6-9/h4-5H,2-3,6H2,1H3
InChIKeyIFAPJVDWDVKWSH-UHFFFAOYSA-N
XLogP2.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.76
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 2-(3-chloropropyl)-5-methylfuran?
The IUPAC name of 2-(3-chloropropyl)-5-methylfuran (CID 12920829) is 2-(3-chloropropyl)-5-methylfuran.
What is the SMILES notation for 2-(3-chloropropyl)-5-methylfuran?
The canonical SMILES for 2-(3-chloropropyl)-5-methylfuran is Cc1ccc(CCCCl)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-methylfuran?
The InChIKey is IFAPJVDWDVKWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO/c1-7-4-5-8(10-7)3-2-6-9/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-(3-chloropropyl)-5-methylfuran?
2-(3-chloropropyl)-5-methylfuran has a molecular weight of 158.63 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-methylfuran is sourced from PubChem (CID 12920829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).