2,5-dimethyl-3-phenylfuran

C12H12O — CID 598957

IUPAC2,5-dimethyl-3-phenylfuran
SMILESCc1cc(-c2ccccc2)c(C)o1
InChIInChI=1S/C12H12O/c1-9-8-12(10(2)13-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyCHNFGGXXEVUWFL-UHFFFAOYSA-N
MW172.23 g/mol
LogP3.56
Rot. Bonds1

About 2,5-dimethyl-3-phenylfuran

2,5-dimethyl-3-phenylfuran (PubChem CID 598957) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenylfuran.

Molecular Properties

Compound Name2,5-dimethyl-3-phenylfuran
PubChem CID598957
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2,5-dimethyl-3-phenylfuran
SMILESCc1cc(-c2ccccc2)c(C)o1
InChIInChI=1S/C12H12O/c1-9-8-12(10(2)13-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyCHNFGGXXEVUWFL-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 2,5-dimethyl-3-phenylfuran?
The IUPAC name of 2,5-dimethyl-3-phenylfuran (CID 598957) is 2,5-dimethyl-3-phenylfuran.
What is the SMILES notation for 2,5-dimethyl-3-phenylfuran?
The canonical SMILES for 2,5-dimethyl-3-phenylfuran is Cc1cc(-c2ccccc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-3-phenylfuran?
The InChIKey is CHNFGGXXEVUWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-9-8-12(10(2)13-9)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenylfuran?
2,5-dimethyl-3-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 2,5-dimethyl-3-phenylfuran is sourced from PubChem (CID 598957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).