2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate

C20H20O5 — CID 7550802

IUPAC2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCCOc2ccc(C)cc2)oc2ccccc12
InChIInChI=1S/C20H20O5/c1-14-7-9-15(10-8-14)23-11-12-24-20(21)19-17(13-22-2)16-5-3-4-6-18(16)25-19/h3-10H,11-13H2,1-2H3
InChIKeyXZMODSMXIDXQSG-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.12
Rot. Bonds7

About 2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate

2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 7550802) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID7550802
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCCOc2ccc(C)cc2)oc2ccccc12
InChIInChI=1S/C20H20O5/c1-14-7-9-15(10-8-14)23-11-12-24-20(21)19-17(13-22-2)16-5-3-4-6-18(16)25-19/h3-10H,11-13H2,1-2H3
InChIKeyXZMODSMXIDXQSG-UHFFFAOYSA-N
XLogP4.12
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550808
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551737
(2,5-dimethoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 8858351
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551159
(3-methoxyphenyl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 18098570
[2-(3-methoxypropylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 8526816
ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-benzofuran-2-carboxylate
CID 16560150
(7-methoxy-2-oxochromen-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551106
ethyl 3-[[2-(4-chlorophenoxy)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
CID 16560190
[2-(3-methylbutylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550963
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 8954537
N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide
CID 9092757

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of 2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 7550802) is 2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for 2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for 2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate is COCc1c(C(=O)OCCOc2ccc(C)cc2)oc2ccccc12.
What is the InChIKey of 2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is XZMODSMXIDXQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-14-7-9-15(10-8-14)23-11-12-24-20(21)19-17(13-22-2)16-5-3-4-6-18(16)25-19/h3-10H,11-13H2,1-2H3.
What are the key properties of 2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7550802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).