2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone

C17H13ClO3 — CID 105132020

IUPAC2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1cccc2cc(C(=O)COc3ccc(Cl)cc3)oc12
InChIInChI=1S/C17H13ClO3/c1-11-3-2-4-12-9-16(21-17(11)12)15(19)10-20-14-7-5-13(18)6-8-14/h2-9H,10H2,1H3
InChIKeyGJQUKRLOZLOCEX-UHFFFAOYSA-N
MW300.74 g/mol
LogP4.66
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone

2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 105132020) has the molecular formula C17H13ClO3 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone
PubChem CID105132020
Molecular FormulaC17H13ClO3
Molecular Weight300.74 g/mol
Exact Mass300.06
IUPAC Name2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1cccc2cc(C(=O)COc3ccc(Cl)cc3)oc12
InChIInChI=1S/C17H13ClO3/c1-11-3-2-4-12-9-16(21-17(11)12)15(19)10-20-14-7-5-13(18)6-8-14/h2-9H,10H2,1H3
InChIKeyGJQUKRLOZLOCEX-UHFFFAOYSA-N
XLogP4.66
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone
CID 115573243
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725058
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
1-(1-benzofuran-2-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 60623980
2-(6-methoxy-3-pyridinyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725776
1-(1-benzofuran-2-yl)-2-(3-methylphenoxy)ethanone
CID 43413131
2-(azetidin-3-yl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114736814
1-(7-bromo-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanone
CID 105078047
1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232
6-amino-4-ethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-one
CID 114736731

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone (CID 105132020) is 2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone is Cc1cccc2cc(C(=O)COc3ccc(Cl)cc3)oc12.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is GJQUKRLOZLOCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO3/c1-11-3-2-4-12-9-16(21-17(11)12)15(19)10-20-14-7-5-13(18)6-8-14/h2-9H,10H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 300.74 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 105132020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).