7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one

C12H14O5 — CID 18351832

IUPAC7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one
SMILESCOCOCC1Oc2c(OC)cccc2C1=O
InChIInChI=1S/C12H14O5/c1-14-7-16-6-10-11(13)8-4-3-5-9(15-2)12(8)17-10/h3-5,10H,6-7H2,1-2H3
InChIKeyKCNDLMLAMYXRJV-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.26
Rot. Bonds5

About 7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one

7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one (PubChem CID 18351832) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one.

Molecular Properties

Compound Name7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one
PubChem CID18351832
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one
SMILESCOCOCC1Oc2c(OC)cccc2C1=O
InChIInChI=1S/C12H14O5/c1-14-7-16-6-10-11(13)8-4-3-5-9(15-2)12(8)17-10/h3-5,10H,6-7H2,1-2H3
InChIKeyKCNDLMLAMYXRJV-UHFFFAOYSA-N
XLogP1.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
CID 22435586
3,8-dimethoxy-2,3-dihydrochromen-4-one
CID 130039338
8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 58733109
(3S)-3-hydroxy-4-methoxy-3H-2-benzofuran-1-one
CID 135372257
methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate
CID 10922937
8-methoxy-1,3-benzodioxin-4-one
CID 141355094
4-methoxy-3-methyl-3H-2-benzofuran-1-one
CID 585356
7-methoxy-2,2-dimethyl-1-benzofuran-3-one
CID 14126647
(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one
CID 134962846
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923
7-methoxy-3-oxo-1,2-dihydroindene-2-carbaldehyde
CID 84618834
3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one
CID 46218586

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one?
The IUPAC name of 7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one (CID 18351832) is 7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one.
What is the SMILES notation for 7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one?
The canonical SMILES for 7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one is COCOCC1Oc2c(OC)cccc2C1=O.
What is the InChIKey of 7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one?
The InChIKey is KCNDLMLAMYXRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-14-7-16-6-10-11(13)8-4-3-5-9(15-2)12(8)17-10/h3-5,10H,6-7H2,1-2H3.
What are the key properties of 7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one?
7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one has a molecular weight of 238.24 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one is sourced from PubChem (CID 18351832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).