3-(2-methylphenyl)-2H-furan-5-one

C11H10O2 — CID 14982787

IUPAC3-(2-methylphenyl)-2H-furan-5-one
SMILESCc1ccccc1C1=CC(=O)OC1
InChIInChI=1S/C11H10O2/c1-8-4-2-3-5-10(8)9-6-11(12)13-7-9/h2-6H,7H2,1H3
InChIKeyBQEJRXXEEJOABX-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.94
Rot. Bonds1

About 3-(2-methylphenyl)-2H-furan-5-one

3-(2-methylphenyl)-2H-furan-5-one (PubChem CID 14982787) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-2H-furan-5-one
PubChem CID14982787
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name3-(2-methylphenyl)-2H-furan-5-one
SMILESCc1ccccc1C1=CC(=O)OC1
InChIInChI=1S/C11H10O2/c1-8-4-2-3-5-10(8)9-6-11(12)13-7-9/h2-6H,7H2,1H3
InChIKeyBQEJRXXEEJOABX-UHFFFAOYSA-N
XLogP1.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2H-furan-5-one?
The IUPAC name of 3-(2-methylphenyl)-2H-furan-5-one (CID 14982787) is 3-(2-methylphenyl)-2H-furan-5-one.
What is the SMILES notation for 3-(2-methylphenyl)-2H-furan-5-one?
The canonical SMILES for 3-(2-methylphenyl)-2H-furan-5-one is Cc1ccccc1C1=CC(=O)OC1.
What is the InChIKey of 3-(2-methylphenyl)-2H-furan-5-one?
The InChIKey is BQEJRXXEEJOABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c1-8-4-2-3-5-10(8)9-6-11(12)13-7-9/h2-6H,7H2,1H3.
What are the key properties of 3-(2-methylphenyl)-2H-furan-5-one?
3-(2-methylphenyl)-2H-furan-5-one has a molecular weight of 174.20 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2H-furan-5-one is sourced from PubChem (CID 14982787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).