ethane;2-(2-methylphenyl)furan

C13H16O — CID 142082580

IUPACethane;2-(2-methylphenyl)furan
SMILESCC.Cc1ccccc1-c1ccco1
InChIInChI=1S/C11H10O.C2H6/c1-9-5-2-3-6-10(9)11-7-4-8-12-11;1-2/h2-8H,1H3;1-2H3
InChIKeyOZLQOSZLLLFKMK-UHFFFAOYSA-N
MW188.27 g/mol
LogP4.28
Rot. Bonds1

About ethane;2-(2-methylphenyl)furan

ethane;2-(2-methylphenyl)furan (PubChem CID 142082580) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is ethane;2-(2-methylphenyl)furan.

Molecular Properties

Compound Nameethane;2-(2-methylphenyl)furan
PubChem CID142082580
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Nameethane;2-(2-methylphenyl)furan
SMILESCC.Cc1ccccc1-c1ccco1
InChIInChI=1S/C11H10O.C2H6/c1-9-5-2-3-6-10(9)11-7-4-8-12-11;1-2/h2-8H,1H3;1-2H3
InChIKeyOZLQOSZLLLFKMK-UHFFFAOYSA-N
XLogP4.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylphenyl)furan?
The IUPAC name of ethane;2-(2-methylphenyl)furan (CID 142082580) is ethane;2-(2-methylphenyl)furan.
What is the SMILES notation for ethane;2-(2-methylphenyl)furan?
The canonical SMILES for ethane;2-(2-methylphenyl)furan is CC.Cc1ccccc1-c1ccco1.
What is the InChIKey of ethane;2-(2-methylphenyl)furan?
The InChIKey is OZLQOSZLLLFKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O.C2H6/c1-9-5-2-3-6-10(9)11-7-4-8-12-11;1-2/h2-8H,1H3;1-2H3.
What are the key properties of ethane;2-(2-methylphenyl)furan?
ethane;2-(2-methylphenyl)furan has a molecular weight of 188.27 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylphenyl)furan is sourced from PubChem (CID 142082580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).