methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate

C14H16O5 — CID 15131055

IUPACmethyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1oc2cc(OC)ccc2c1OC(C)C
InChIInChI=1S/C14H16O5/c1-8(2)18-12-10-6-5-9(16-3)7-11(10)19-13(12)14(15)17-4/h5-8H,1-4H3
InChIKeyXTHQHYWMMVGVDG-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.02
Rot. Bonds4

About methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate

methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate (PubChem CID 15131055) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate
PubChem CID15131055
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namemethyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1oc2cc(OC)ccc2c1OC(C)C
InChIInChI=1S/C14H16O5/c1-8(2)18-12-10-6-5-9(16-3)7-11(10)19-13(12)14(15)17-4/h5-8H,1-4H3
InChIKeyXTHQHYWMMVGVDG-UHFFFAOYSA-N
XLogP3.02
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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

methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193
[2-oxo-4,7-di(propan-2-yloxy)chromen-3-yl] acetate
CID 19929402
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
N-benzyl-5-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxamide
CID 18963780
6-methoxy-3-(1-methoxyethoxy)-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 139660274
methyl 5-methoxy-3-propoxy-1-benzofuran-2-carboxylate
CID 70461005
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441
N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
CID 75796722
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
(17-methoxycarbonyloxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl) acetate
CID 144582492
(3-methyl-4-propan-2-ylphenyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 7927177

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate (CID 15131055) is methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate is COC(=O)c1oc2cc(OC)ccc2c1OC(C)C.
What is the InChIKey of methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate?
The InChIKey is XTHQHYWMMVGVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-8(2)18-12-10-6-5-9(16-3)7-11(10)19-13(12)14(15)17-4/h5-8H,1-4H3.
What are the key properties of methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate?
methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 15131055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).