1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone

C18H18O2 — CID 43297030

IUPAC1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3c(c2)CC(C)O3)cc1
InChIInChI=1S/C18H18O2/c1-12-3-5-14(6-4-12)10-17(19)15-7-8-18-16(11-15)9-13(2)20-18/h3-8,11,13H,9-10H2,1-2H3
InChIKeyARUQKJYWXYIRQU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.74
Rot. Bonds3

About 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone

1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone (PubChem CID 43297030) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
PubChem CID43297030
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3c(c2)CC(C)O3)cc1
InChIInChI=1S/C18H18O2/c1-12-3-5-14(6-4-12)10-17(19)15-7-8-18-16(11-15)9-13(2)20-18/h3-8,11,13H,9-10H2,1-2H3
InChIKeyARUQKJYWXYIRQU-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone
CID 3468963
4-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-one
CID 86161762
dimethyl-[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-oxopropyl]azanium chloride
CID 18529669
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methylphenyl)ethanone
CID 61026711
3-(azepan-1-yl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one
CID 40544064
(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 65454365
ethyl 2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoacetate
CID 55017028
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione
CID 102552593

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone (CID 43297030) is 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2ccc3c(c2)CC(C)O3)cc1.
What is the InChIKey of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is ARUQKJYWXYIRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-3-5-14(6-4-12)10-17(19)15-7-8-18-16(11-15)9-13(2)20-18/h3-8,11,13H,9-10H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone?
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 43297030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).