1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone

C13H12O3 — CID 3419660

IUPAC1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(O)C(=O)c2ccco2)cc1
InChIInChI=1S/C13H12O3/c1-9-4-6-10(7-5-9)12(14)13(15)11-3-2-8-16-11/h2-8,12,14H,1H3
InChIKeyAELBAIVOIVEHDW-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.50
Rot. Bonds3

About 1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone

1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone (PubChem CID 3419660) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone
PubChem CID3419660
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone
SMILESCc1ccc(C(O)C(=O)c2ccco2)cc1
InChIInChI=1S/C13H12O3/c1-9-4-6-10(7-5-9)12(14)13(15)11-3-2-8-16-11/h2-8,12,14H,1H3
InChIKeyAELBAIVOIVEHDW-UHFFFAOYSA-N
XLogP2.50
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone (CID 3419660) is 1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone is Cc1ccc(C(O)C(=O)c2ccco2)cc1.
What is the InChIKey of 1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone?
The InChIKey is AELBAIVOIVEHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-9-4-6-10(7-5-9)12(14)13(15)11-3-2-8-16-11/h2-8,12,14H,1H3.
What are the key properties of 1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone?
1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-hydroxy-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 3419660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).