3-chloro-2-ethyl-5-phenylfuran

C12H11ClO — CID 102255025

IUPAC3-chloro-2-ethyl-5-phenylfuran
SMILESCCc1oc(-c2ccccc2)cc1Cl
InChIInChI=1S/C12H11ClO/c1-2-11-10(13)8-12(14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyVRGRQTGIOKMNLI-UHFFFAOYSA-N
MW206.67 g/mol
LogP4.16
Rot. Bonds2

About 3-chloro-2-ethyl-5-phenylfuran

3-chloro-2-ethyl-5-phenylfuran (PubChem CID 102255025) has the molecular formula C12H11ClO and a molecular weight of 206.67 g/mol. Its IUPAC name is 3-chloro-2-ethyl-5-phenylfuran.

Molecular Properties

Compound Name3-chloro-2-ethyl-5-phenylfuran
PubChem CID102255025
Molecular FormulaC12H11ClO
Molecular Weight206.67 g/mol
Exact Mass206.05
IUPAC Name3-chloro-2-ethyl-5-phenylfuran
SMILESCCc1oc(-c2ccccc2)cc1Cl
InChIInChI=1S/C12H11ClO/c1-2-11-10(13)8-12(14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyVRGRQTGIOKMNLI-UHFFFAOYSA-N
XLogP4.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-5-phenylfuran?
The IUPAC name of 3-chloro-2-ethyl-5-phenylfuran (CID 102255025) is 3-chloro-2-ethyl-5-phenylfuran.
What is the SMILES notation for 3-chloro-2-ethyl-5-phenylfuran?
The canonical SMILES for 3-chloro-2-ethyl-5-phenylfuran is CCc1oc(-c2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-2-ethyl-5-phenylfuran?
The InChIKey is VRGRQTGIOKMNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO/c1-2-11-10(13)8-12(14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 3-chloro-2-ethyl-5-phenylfuran?
3-chloro-2-ethyl-5-phenylfuran has a molecular weight of 206.67 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethyl-5-phenylfuran is sourced from PubChem (CID 102255025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).