2-chloro-5-(dimethoxymethyl)furan

C7H9ClO3 — CID 119084288

IUPAC2-chloro-5-(dimethoxymethyl)furan
SMILESCOC(OC)c1ccc(Cl)o1
InChIInChI=1S/C7H9ClO3/c1-9-7(10-2)5-3-4-6(8)11-5/h3-4,7H,1-2H3
InChIKeyIKJWFBAAMLTMQH-UHFFFAOYSA-N
MW176.60 g/mol
LogP2.22
Rot. Bonds3

About 2-chloro-5-(dimethoxymethyl)furan

2-chloro-5-(dimethoxymethyl)furan (PubChem CID 119084288) has the molecular formula C7H9ClO3 and a molecular weight of 176.60 g/mol. Its IUPAC name is 2-chloro-5-(dimethoxymethyl)furan.

Molecular Properties

Compound Name2-chloro-5-(dimethoxymethyl)furan
PubChem CID119084288
Molecular FormulaC7H9ClO3
Molecular Weight176.60 g/mol
Exact Mass176.02
IUPAC Name2-chloro-5-(dimethoxymethyl)furan
SMILESCOC(OC)c1ccc(Cl)o1
InChIInChI=1S/C7H9ClO3/c1-9-7(10-2)5-3-4-6(8)11-5/h3-4,7H,1-2H3
InChIKeyIKJWFBAAMLTMQH-UHFFFAOYSA-N
XLogP2.22
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethoxymethyl)furan?
The IUPAC name of 2-chloro-5-(dimethoxymethyl)furan (CID 119084288) is 2-chloro-5-(dimethoxymethyl)furan.
What is the SMILES notation for 2-chloro-5-(dimethoxymethyl)furan?
The canonical SMILES for 2-chloro-5-(dimethoxymethyl)furan is COC(OC)c1ccc(Cl)o1.
What is the InChIKey of 2-chloro-5-(dimethoxymethyl)furan?
The InChIKey is IKJWFBAAMLTMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO3/c1-9-7(10-2)5-3-4-6(8)11-5/h3-4,7H,1-2H3.
What are the key properties of 2-chloro-5-(dimethoxymethyl)furan?
2-chloro-5-(dimethoxymethyl)furan has a molecular weight of 176.60 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethoxymethyl)furan is sourced from PubChem (CID 119084288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).