2-chloro-4-cyclohexylfuran

C10H13ClO — CID 174977768

IUPAC2-chloro-4-cyclohexylfuran
SMILESClc1cc(C2CCCCC2)co1
InChIInChI=1S/C10H13ClO/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyJAAQWPTYDNMTRZ-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.98
Rot. Bonds1

About 2-chloro-4-cyclohexylfuran

2-chloro-4-cyclohexylfuran (PubChem CID 174977768) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-4-cyclohexylfuran.

Molecular Properties

Compound Name2-chloro-4-cyclohexylfuran
PubChem CID174977768
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name2-chloro-4-cyclohexylfuran
SMILESClc1cc(C2CCCCC2)co1
InChIInChI=1S/C10H13ClO/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyJAAQWPTYDNMTRZ-UHFFFAOYSA-N
XLogP3.98
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclohexylfuran?
The IUPAC name of 2-chloro-4-cyclohexylfuran (CID 174977768) is 2-chloro-4-cyclohexylfuran.
What is the SMILES notation for 2-chloro-4-cyclohexylfuran?
The canonical SMILES for 2-chloro-4-cyclohexylfuran is Clc1cc(C2CCCCC2)co1.
What is the InChIKey of 2-chloro-4-cyclohexylfuran?
The InChIKey is JAAQWPTYDNMTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 2-chloro-4-cyclohexylfuran?
2-chloro-4-cyclohexylfuran has a molecular weight of 184.67 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclohexylfuran is sourced from PubChem (CID 174977768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).