tert-butyl 6-methoxy-1-benzofuran-3-carboxylate

C14H16O4 — CID 102421543

IUPACtert-butyl 6-methoxy-1-benzofuran-3-carboxylate
SMILESCOc1ccc2c(C(=O)OC(C)(C)C)coc2c1
InChIInChI=1S/C14H16O4/c1-14(2,3)18-13(15)11-8-17-12-7-9(16-4)5-6-10(11)12/h5-8H,1-4H3
InChIKeyRGODGPVKPKLQHY-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.40
Rot. Bonds2

About tert-butyl 6-methoxy-1-benzofuran-3-carboxylate

tert-butyl 6-methoxy-1-benzofuran-3-carboxylate (PubChem CID 102421543) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is tert-butyl 6-methoxy-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methoxy-1-benzofuran-3-carboxylate
PubChem CID102421543
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Nametert-butyl 6-methoxy-1-benzofuran-3-carboxylate
SMILESCOc1ccc2c(C(=O)OC(C)(C)C)coc2c1
InChIInChI=1S/C14H16O4/c1-14(2,3)18-13(15)11-8-17-12-7-9(16-4)5-6-10(11)12/h5-8H,1-4H3
InChIKeyRGODGPVKPKLQHY-UHFFFAOYSA-N
XLogP3.40
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2,4-dimethoxybenzoate
CID 63897355
tert-butyl 4-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 34019092
tert-butyl 2-ethenyl-5-methoxybenzoate
CID 172649027
3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
CID 139885668
N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide
CID 88798490
(E)-3-(7-methoxy-4-oxochromen-3-yl)prop-2-enoate
CID 6953675
methyl 2-(6-methoxy-1-benzofuran-3-yl)-3-oxobutanoate
CID 23151510
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119607344
methyl 2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]oxymethyl]furan-3-carboxylate
CID 24626688
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
ditert-butyl 4-[3,4-bis[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]benzene-1,2-dicarboxylate
CID 100990281

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methoxy-1-benzofuran-3-carboxylate?
The IUPAC name of tert-butyl 6-methoxy-1-benzofuran-3-carboxylate (CID 102421543) is tert-butyl 6-methoxy-1-benzofuran-3-carboxylate.
What is the SMILES notation for tert-butyl 6-methoxy-1-benzofuran-3-carboxylate?
The canonical SMILES for tert-butyl 6-methoxy-1-benzofuran-3-carboxylate is COc1ccc2c(C(=O)OC(C)(C)C)coc2c1.
What is the InChIKey of tert-butyl 6-methoxy-1-benzofuran-3-carboxylate?
The InChIKey is RGODGPVKPKLQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-14(2,3)18-13(15)11-8-17-12-7-9(16-4)5-6-10(11)12/h5-8H,1-4H3.
What are the key properties of tert-butyl 6-methoxy-1-benzofuran-3-carboxylate?
tert-butyl 6-methoxy-1-benzofuran-3-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methoxy-1-benzofuran-3-carboxylate is sourced from PubChem (CID 102421543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).