2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate

C22H17ClO4 — CID 7901560

IUPAC2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate
SMILESO=C(Cc1coc2ccc3ccccc3c12)OCCOc1ccccc1Cl
InChIInChI=1S/C22H17ClO4/c23-18-7-3-4-8-19(18)25-11-12-26-21(24)13-16-14-27-20-10-9-15-5-1-2-6-17(15)22(16)20/h1-10,14H,11-13H2
InChIKeyZSYVZIWTEWUBFM-UHFFFAOYSA-N
MW380.83 g/mol
LogP5.40
Rot. Bonds6

About 2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate

2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate (PubChem CID 7901560) has the molecular formula C22H17ClO4 and a molecular weight of 380.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate
PubChem CID7901560
Molecular FormulaC22H17ClO4
Molecular Weight380.83 g/mol
Exact Mass380.08
IUPAC Name2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate
SMILESO=C(Cc1coc2ccc3ccccc3c12)OCCOc1ccccc1Cl
InChIInChI=1S/C22H17ClO4/c23-18-7-3-4-8-19(18)25-11-12-26-21(24)13-16-14-27-20-10-9-15-5-1-2-6-17(15)22(16)20/h1-10,14H,11-13H2
InChIKeyZSYVZIWTEWUBFM-UHFFFAOYSA-N
XLogP5.40
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.83
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525654
(4-chloro-2-methylphenyl) 2-benzo[e][1]benzofuran-1-ylacetate
CID 7931004
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 29219272
methyl 4-[(2-benzo[e][1]benzofuran-1-ylacetyl)oxymethyl]benzoate
CID 7901833
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 55534378
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
benzo[e][1]benzofuran-1-ylmethanol
CID 13405240
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901659
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525646
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525666
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 7901803

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate (CID 7901560) is 2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate is O=C(Cc1coc2ccc3ccccc3c12)OCCOc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate?
The InChIKey is ZSYVZIWTEWUBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClO4/c23-18-7-3-4-8-19(18)25-11-12-26-21(24)13-16-14-27-20-10-9-15-5-1-2-6-17(15)22(16)20/h1-10,14H,11-13H2.
What are the key properties of 2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate?
2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate has a molecular weight of 380.83 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl 2-benzo[e][1]benzofuran-1-ylacetate is sourced from PubChem (CID 7901560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).