1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone

C21H22O2 — CID 11833731

IUPAC1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC(c2ccc(C)cc2)(c2ccc(C)cc2)C1
InChIInChI=1S/C21H22O2/c1-14-5-9-18(10-6-14)21(19-11-7-15(2)8-12-19)13-20(16(3)22)17(4)23-21/h5-12H,13H2,1-4H3
InChIKeyGHEPSAXXTIBWSC-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.83
Rot. Bonds3

About 1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone

1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone (PubChem CID 11833731) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone
PubChem CID11833731
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone
SMILESCC(=O)C1=C(C)OC(c2ccc(C)cc2)(c2ccc(C)cc2)C1
InChIInChI=1S/C21H22O2/c1-14-5-9-18(10-6-14)21(19-11-7-15(2)8-12-19)13-20(16(3)22)17(4)23-21/h5-12H,13H2,1-4H3
InChIKeyGHEPSAXXTIBWSC-UHFFFAOYSA-N
XLogP4.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-2-phenyl-5-(1-phenylpropyl)-2-propyl-3H-pyran-6-one
CID 54691100
2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one
CID 54691000
2-methyl-2-phenyl-3H-benzo[g][1]benzofuran-4,5-dione
CID 15743025
2-methyl-2-phenyl-3,4-dihydro-2H-benzo(h)chromene-5,6-dione
CID 11722562
1H-Inden-1-one, 3-(acetyloxy)-2-(2,4,6-trimethylphenyl)-
CID 845934
4-tert-Butylbenzoic anhydride
CID 14962255
3-(4-Fluorobenzylidene)-5-(4-isobutylphenyl)-2(3H)-furanone (9)
CID 129010585
(3Z)-3-benzylidene-5,7-dimethyl-2-benzofuran-1-one
CID 72189524
Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4',10,11-tetrahydro-4'-methylene-
CID 179617
3-Methylidene-5-phenyl-5-(phenylselanylmethyl)oxolan-2-one
CID 156014380
3-Methylene-5,5-diphenyldihydro-2(3H)-furanone
CID 549456
Methanone, [4-(methoxymethyl)phenyl]phenyl-
CID 111774

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone?
The IUPAC name of 1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone (CID 11833731) is 1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone?
The canonical SMILES for 1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone is CC(=O)C1=C(C)OC(c2ccc(C)cc2)(c2ccc(C)cc2)C1.
What is the InChIKey of 1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone?
The InChIKey is GHEPSAXXTIBWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-14-5-9-18(10-6-14)21(19-11-7-15(2)8-12-19)13-20(16(3)22)17(4)23-21/h5-12H,13H2,1-4H3.
What are the key properties of 1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone?
1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone has a molecular weight of 306.41 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2,2-bis(4-methylphenyl)-3H-furan-4-yl]ethanone is sourced from PubChem (CID 11833731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).