methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate

C14H16O5 — CID 70461005

IUPACmethyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate
SMILESCCCOc1c(C(=O)OC)oc2ccc(OC)cc12
InChIInChI=1S/C14H16O5/c1-4-7-18-12-10-8-9(16-2)5-6-11(10)19-13(12)14(15)17-3/h5-6,8H,4,7H2,1-3H3
InChIKeyWPHNIFSYMDKERO-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.02
Rot. Bonds5

About methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate

methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate (PubChem CID 70461005) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate
PubChem CID70461005
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namemethyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate
SMILESCCCOc1c(C(=O)OC)oc2ccc(OC)cc12
InChIInChI=1S/C14H16O5/c1-4-7-18-12-10-8-9(16-2)5-6-11(10)19-13(12)14(15)17-3/h5-6,8H,4,7H2,1-3H3
InChIKeyWPHNIFSYMDKERO-UHFFFAOYSA-N
XLogP3.02
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate
CID 15131055
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 8873473
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 55399756
[2-oxo-2-(propylcarbamoylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7186892
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
1-(3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)ethanone
CID 82372714
butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate
CID 51065492
2-phenyl-5-propoxy-1-benzofuran-3-carboxylic acid
CID 142773604
ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate
CID 3124075

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate (CID 70461005) is methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate is CCCOc1c(C(=O)OC)oc2ccc(OC)cc12.
What is the InChIKey of methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate?
The InChIKey is WPHNIFSYMDKERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-4-7-18-12-10-8-9(16-2)5-6-11(10)19-13(12)14(15)17-3/h5-6,8H,4,7H2,1-3H3.
What are the key properties of methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate?
methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 70461005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).