1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone

C17H14O3 — CID 43413131

IUPAC1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C17H14O3/c1-12-5-4-7-14(9-12)19-11-15(18)17-10-13-6-2-3-8-16(13)20-17/h2-10H,11H2,1H3
InChIKeyZLNWAIMCAACOIP-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.00
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone

1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone (PubChem CID 43413131) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
PubChem CID43413131
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C17H14O3/c1-12-5-4-7-14(9-12)19-11-15(18)17-10-13-6-2-3-8-16(13)20-17/h2-10H,11H2,1H3
InChIKeyZLNWAIMCAACOIP-UHFFFAOYSA-N
XLogP4.00
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-(3-ethylphenoxy)ethanone
CID 43411796
1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 60623980
1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-(3-methylphenoxy)acetamide
CID 110732938
1-(1-benzofuran-2-yl)-2-(3-methylphenyl)sulfanylethanone
CID 61243446
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-methylbenzoate
CID 7972415
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535503
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815189
1-(1-benzofuran-2-yl)-2-(3-bromo-5-fluorophenoxy)ethanone
CID 81315367
1-(1-benzofuran-2-yl)-2-(2-chlorophenoxy)ethanone
CID 7816108
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 8861643

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone (CID 43413131) is 1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone?
The InChIKey is ZLNWAIMCAACOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-12-5-4-7-14(9-12)19-11-15(18)17-10-13-6-2-3-8-16(13)20-17/h2-10H,11H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone?
1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone has a molecular weight of 266.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 43413131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).