methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate

C15H18O5 — CID 156634274

IUPACmethyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate
SMILESCCOc1cc(OC(C)C)cc2oc(C(=O)OC)cc12
InChIInChI=1S/C15H18O5/c1-5-18-12-6-10(19-9(2)3)7-13-11(12)8-14(20-13)15(16)17-4/h6-9H,5H2,1-4H3
InChIKeySNWVNAHRAXTDFQ-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.41
Rot. Bonds5

About methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate

methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate (PubChem CID 156634274) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate
PubChem CID156634274
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Namemethyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate
SMILESCCOc1cc(OC(C)C)cc2oc(C(=O)OC)cc12
InChIInChI=1S/C15H18O5/c1-5-18-12-6-10(19-9(2)3)7-13-11(12)8-14(20-13)15(16)17-4/h6-9H,5H2,1-4H3
InChIKeySNWVNAHRAXTDFQ-UHFFFAOYSA-N
XLogP3.41
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-di(propan-2-yloxy)-1-benzofuran-2-carboxylic acid
CID 172769354
1-[2-ethoxy-4,6-di(propan-2-yloxy)phenyl]-2-methylpropan-1-one
CID 146611640
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
methyl 4-(3-hydroxypropoxy)-1-benzofuran-2-carboxylate
CID 142029288
methyl 5-[1-(3-ethoxyphenoxy)ethyl]furan-2-carboxylate
CID 79086049
methyl 2-[3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
CID 110275221
methyl 6-methoxy-3-propan-2-yloxy-1-benzofuran-2-carboxylate
CID 15131055
methyl 6-butoxy-1-benzofuran-2-carboxylate
CID 70308418
methyl 4-[6-ethyl-4-oxo-7-propan-2-yloxy-2-(trifluoromethyl)chromen-3-yl]-5-methylfuran-2-carboxylate
CID 35794752
methyl 2-methyl-4-(2-methylpropoxy)-1-benzofuran-6-carboxylate
CID 67484700
2-ethoxy-4-propan-2-yloxybenzaldehyde
CID 141193639
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate (CID 156634274) is methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate is CCOc1cc(OC(C)C)cc2oc(C(=O)OC)cc12.
What is the InChIKey of methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate?
The InChIKey is SNWVNAHRAXTDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-5-18-12-6-10(19-9(2)3)7-13-11(12)8-14(20-13)15(16)17-4/h6-9H,5H2,1-4H3.
What are the key properties of methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate?
methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate has a molecular weight of 278.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethoxy-6-propan-2-yloxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 156634274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).