2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone

C17H16O3 — CID 115814389

IUPAC2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc3c2OCC3)ccc1C
InChIInChI=1S/C17H16O3/c1-11-6-7-13(10-15(11)19-2)16(18)14-5-3-4-12-8-9-20-17(12)14/h3-7,10H,8-9H2,1-2H3
InChIKeyGITHEGSJQGTEPN-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.17
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone

2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone (PubChem CID 115814389) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
PubChem CID115814389
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cccc3c2OCC3)ccc1C
InChIInChI=1S/C17H16O3/c1-11-6-7-13(10-15(11)19-2)16(18)14-5-3-4-12-8-9-20-17(12)14/h3-7,10H,8-9H2,1-2H3
InChIKeyGITHEGSJQGTEPN-UHFFFAOYSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-7-yl-(4-fluoro-3-methoxyphenyl)methanone
CID 115814405
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethoxyphenyl)methanone
CID 115814359
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188
(5-chloro-2-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814244
2,3-dihydro-1-benzofuran-7-yl-(6-methoxypyrimidin-4-yl)methanone
CID 102950163
2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
CID 114743978
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
CID 105135078
2,3-dihydro-1-benzofuran-7-yl-(3-methyl-2-pyridinyl)methanone
CID 114744044
(4-chloro-3-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107996809
(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107469285
3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone
CID 105133567

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone (CID 115814389) is 2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)c2cccc3c2OCC3)ccc1C.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is GITHEGSJQGTEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-11-6-7-13(10-15(11)19-2)16(18)14-5-3-4-12-8-9-20-17(12)14/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone?
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 115814389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).