2,3-dimethyl-5-phenylfuran

C12H12O — CID 11084344

IUPAC2,3-dimethyl-5-phenylfuran
SMILESCc1cc(-c2ccccc2)oc1C
InChIInChI=1S/C12H12O/c1-9-8-12(13-10(9)2)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyHANCOVHTDXYDIF-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.56
Rot. Bonds1

About 2,3-dimethyl-5-phenylfuran

2,3-dimethyl-5-phenylfuran (PubChem CID 11084344) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,3-dimethyl-5-phenylfuran.

Molecular Properties

Compound Name2,3-dimethyl-5-phenylfuran
PubChem CID11084344
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2,3-dimethyl-5-phenylfuran
SMILESCc1cc(-c2ccccc2)oc1C
InChIInChI=1S/C12H12O/c1-9-8-12(13-10(9)2)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyHANCOVHTDXYDIF-UHFFFAOYSA-N
XLogP3.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-phenylfuran?
The IUPAC name of 2,3-dimethyl-5-phenylfuran (CID 11084344) is 2,3-dimethyl-5-phenylfuran.
What is the SMILES notation for 2,3-dimethyl-5-phenylfuran?
The canonical SMILES for 2,3-dimethyl-5-phenylfuran is Cc1cc(-c2ccccc2)oc1C.
What is the InChIKey of 2,3-dimethyl-5-phenylfuran?
The InChIKey is HANCOVHTDXYDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-9-8-12(13-10(9)2)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 2,3-dimethyl-5-phenylfuran?
2,3-dimethyl-5-phenylfuran has a molecular weight of 172.23 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-phenylfuran is sourced from PubChem (CID 11084344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).