1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone

C14H16O2 — CID 10965935

IUPAC1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone
SMILESCC(=O)C1=C(C)OC(C)(c2ccccc2)C1
InChIInChI=1S/C14H16O2/c1-10(15)13-9-14(3,16-11(13)2)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeyVBLCRYREYWPZIP-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.19
Rot. Bonds2

About 1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone

1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone (PubChem CID 10965935) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone
PubChem CID10965935
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone
SMILESCC(=O)C1=C(C)OC(C)(c2ccccc2)C1
InChIInChI=1S/C14H16O2/c1-10(15)13-9-14(3,16-11(13)2)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3
InChIKeyVBLCRYREYWPZIP-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Beta-Lapachone
CID 3885
2-Methyl-6-phenyl-4H-pyran-4-one
CID 120521
4-Ethoxynaphthalene-1,2-dione
CID 343759
Nor-Beta-Lapachone
CID 5249188
2-Ethyl-2-methyl-3,4-dihydrobenzo[h]chromene-5,6-dione
CID 10445129
5-(Iodomethyl)-3-methylidene-5-phenyloxolan-2-one
CID 11289970
Bullatenone
CID 100464
3,3-Dimethyl-2-methylidenebenzo[g][1]benzofuran-4,5-dione
CID 11564963
5-Methyl-5-phenyloxolan-2-one
CID 88864
4-Methoxy-1,2-naphthoquinone
CID 594762
(3Z)-3-heptylidene-2-benzofuran-1-one
CID 44443961
[(1Z)-1-[(3aR,7aR)-5-oxo-7a-phenyl-3a,4-dihydro-1-benzofuran-3-ylidene]ethyl] acetate
CID 70684928

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone?
The IUPAC name of 1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone (CID 10965935) is 1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone is CC(=O)C1=C(C)OC(C)(c2ccccc2)C1.
What is the InChIKey of 1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone?
The InChIKey is VBLCRYREYWPZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-10(15)13-9-14(3,16-11(13)2)12-7-5-4-6-8-12/h4-8H,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone?
1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone has a molecular weight of 216.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-2-phenyl-3H-furan-4-yl)ethanone is sourced from PubChem (CID 10965935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).