1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone

C17H16O2 — CID 3468963

IUPAC1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone
SMILESCC1Cc2cc(C(=O)Cc3ccccc3)ccc2O1
InChIInChI=1S/C17H16O2/c1-12-9-15-11-14(7-8-17(15)19-12)16(18)10-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3
InChIKeyUJTOHKLEHSBEPP-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.44
Rot. Bonds3

About 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone

1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone (PubChem CID 3468963) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone
PubChem CID3468963
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone
SMILESCC1Cc2cc(C(=O)Cc3ccccc3)ccc2O1
InChIInChI=1S/C17H16O2/c1-12-9-15-11-14(7-8-17(15)19-12)16(18)10-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3
InChIKeyUJTOHKLEHSBEPP-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.44
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-(4-methylphenyl)ethanone
CID 43297030
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
2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
CID 43297113
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
3-(azepan-1-yl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one
CID 40544064
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
2-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782548
5-hydroxy-5-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-1,3-diazinane-2,4,6-trione
CID 102552593
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone (CID 3468963) is 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone is CC1Cc2cc(C(=O)Cc3ccccc3)ccc2O1.
What is the InChIKey of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone?
The InChIKey is UJTOHKLEHSBEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-12-9-15-11-14(7-8-17(15)19-12)16(18)10-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone?
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone has a molecular weight of 252.31 g/mol, XLogP of 3.44, 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-phenylethanone is sourced from PubChem (CID 3468963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).