methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate

C18H15ClO5 — CID 164580543

IUPACmethyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate
SMILESCOCc1cc2cccc(Oc3ccc(C(=O)OC)c(Cl)c3)c2o1
InChIInChI=1S/C18H15ClO5/c1-21-10-13-8-11-4-3-5-16(17(11)24-13)23-12-6-7-14(15(19)9-12)18(20)22-2/h3-9H,10H2,1-2H3
InChIKeyJPMWNPZGNBUYSP-UHFFFAOYSA-N
MW346.77 g/mol
LogP4.81
Rot. Bonds5

About methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate

methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate (PubChem CID 164580543) has the molecular formula C18H15ClO5 and a molecular weight of 346.77 g/mol. Its IUPAC name is methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate
PubChem CID164580543
Molecular FormulaC18H15ClO5
Molecular Weight346.77 g/mol
Exact Mass346.06
IUPAC Namemethyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate
SMILESCOCc1cc2cccc(Oc3ccc(C(=O)OC)c(Cl)c3)c2o1
InChIInChI=1S/C18H15ClO5/c1-21-10-13-8-11-4-3-5-16(17(11)24-13)23-12-6-7-14(15(19)9-12)18(20)22-2/h3-9H,10H2,1-2H3
InChIKeyJPMWNPZGNBUYSP-UHFFFAOYSA-N
XLogP4.81
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate with MolForge

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Related Compounds

2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide
CID 164580605
2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid
CID 164580629
[2-chloro-4-[(2-ethyl-1-benzofuran-7-yl)oxy]phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
CID 164580695
4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol
CID 22889023
methyl 2-chloro-4-fluorobenzoate;methyl 2-chloro-4-phenoxybenzoate;phenol
CID 157480353
2-(methoxymethyl)-7-methyl-1-benzofuran
CID 117186379
methyl 2-amino-5-(3-chloro-2-fluorophenoxy)benzoate
CID 116689734
methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate
CID 115547292
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate
CID 88861650
methyl 2-amino-3-(4-chloro-3-fluorophenoxy)benzoate
CID 82716287
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate?
The IUPAC name of methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate (CID 164580543) is methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate.
What is the SMILES notation for methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate?
The canonical SMILES for methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate is COCc1cc2cccc(Oc3ccc(C(=O)OC)c(Cl)c3)c2o1.
What is the InChIKey of methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate?
The InChIKey is JPMWNPZGNBUYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO5/c1-21-10-13-8-11-4-3-5-16(17(11)24-13)23-12-6-7-14(15(19)9-12)18(20)22-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate?
methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate has a molecular weight of 346.77 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate is sourced from PubChem (CID 164580543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).