1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone

C21H20O3 — CID 11151361

IUPAC1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone
SMILESCC(=O)C1=C(C)O[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1
InChIInChI=1S/C21H20O3/c1-13-9-11-16(12-10-13)19-18(14(2)22)15(3)24-21(19)20(23)17-7-5-4-6-8-17/h4-12,19,21H,1-3H3/t19-,21-/m0/s1
InChIKeyLWSJLIIXJLZZED-FPOVZHCZSA-N
MW320.39 g/mol
LogP4.22
Rot. Bonds4

About 1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone

1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone (PubChem CID 11151361) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone
PubChem CID11151361
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone
SMILESCC(=O)C1=C(C)O[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1
InChIInChI=1S/C21H20O3/c1-13-9-11-16(12-10-13)19-18(14(2)22)15(3)24-21(19)20(23)17-7-5-4-6-8-17/h4-12,19,21H,1-3H3/t19-,21-/m0/s1
InChIKeyLWSJLIIXJLZZED-FPOVZHCZSA-N
XLogP4.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-nitrophenyl)-2,3-dihydrofuran-4-yl]ethanone
CID 11484926
[(2S,3R)-3-(4-methylphenyl)oxiran-2-yl]-phenylmethanone
CID 12031052
1-[(2S,3S)-5-methyl-2-(1-phenylethenyl)-3-pyridin-4-yl-2,3-dihydrofuran-4-yl]ethanone
CID 46218459
ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate
CID 102486020
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
CID 102521707
(4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 57333457
(4-methylphenyl)-[(2R,3R)-3-(4-methylphenyl)oxiran-2-yl]methanone
CID 135933564
(4-methylphenyl)-[3-(4-methylphenyl)oxiran-2-yl]methanone
CID 159142458
(2R,3R)-2-benzoyl-3-(4-bromophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one
CID 102218399
(2R,3R)-2-benzoyl-3-(4-chlorophenyl)-2,3-dihydroindeno[1,2-b]furan-4-one
CID 73332929
[(2S,3R)-3-[4-[(2S,3S)-3-benzoyloxiran-2-yl]phenyl]oxiran-2-yl]-phenylmethanone
CID 135504692
(4S,5S)-5-benzoyl-2-methyl-4-(4-methylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
CID 162404433

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone?
The IUPAC name of 1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone (CID 11151361) is 1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone?
The canonical SMILES for 1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone is CC(=O)C1=C(C)O[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1.
What is the InChIKey of 1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone?
The InChIKey is LWSJLIIXJLZZED-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H20O3/c1-13-9-11-16(12-10-13)19-18(14(2)22)15(3)24-21(19)20(23)17-7-5-4-6-8-17/h4-12,19,21H,1-3H3/t19-,21-/m0/s1.
What are the key properties of 1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone?
1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone has a molecular weight of 320.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-benzoyl-5-methyl-3-(4-methylphenyl)-2,3-dihydrofuran-4-yl]ethanone is sourced from PubChem (CID 11151361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).