2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone

C17H16O3 — CID 102431090

IUPAC2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone
SMILESCOc1ccc2c(c1)O[C@H](CC(=O)c1ccccc1)C2
InChIInChI=1S/C17H16O3/c1-19-14-8-7-13-9-15(20-17(13)11-14)10-16(18)12-5-3-2-4-6-12/h2-8,11,15H,9-10H2,1H3/t15-/m0/s1
InChIKeyAJVNHYKZBUWKNW-HNNXBMFYSA-N
MW268.31 g/mol
LogP3.27
Rot. Bonds4

About 2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone

2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone (PubChem CID 102431090) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone
PubChem CID102431090
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone
SMILESCOc1ccc2c(c1)O[C@H](CC(=O)c1ccccc1)C2
InChIInChI=1S/C17H16O3/c1-19-14-8-7-13-9-15(20-17(13)11-14)10-16(18)12-5-3-2-4-6-12/h2-8,11,15H,9-10H2,1H3/t15-/m0/s1
InChIKeyAJVNHYKZBUWKNW-HNNXBMFYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 10686807
2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)acetamide
CID 121345070
methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 10703555
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
methyl 2,8-dimethoxy-5H-benzo[d][1,3]benzodioxocine-11-carboxylate
CID 22153861
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
(2R,3R)-7-methoxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 125449537
(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244646
N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
CID 92757032
N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 92760795
7-methoxy-3-oxo-4H-chromene-2-carboxylic acid
CID 163210728
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone?
The IUPAC name of 2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone (CID 102431090) is 2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone is COc1ccc2c(c1)O[C@H](CC(=O)c1ccccc1)C2.
What is the InChIKey of 2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone?
The InChIKey is AJVNHYKZBUWKNW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16O3/c1-19-14-8-7-13-9-15(20-17(13)11-14)10-16(18)12-5-3-2-4-6-12/h2-8,11,15H,9-10H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone?
2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone has a molecular weight of 268.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]-1-phenylethanone is sourced from PubChem (CID 102431090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).