methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate

C13H14O5 — CID 117378480

IUPACmethyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate
SMILESCOC(=O)C(O)c1ccc(OC)c2oc(C)cc12
InChIInChI=1S/C13H14O5/c1-7-6-9-8(11(14)13(15)17-3)4-5-10(16-2)12(9)18-7/h4-6,11,14H,1-3H3
InChIKeyQBJXROSSXADDCE-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.96
Rot. Bonds3

About methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate

methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate (PubChem CID 117378480) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate
PubChem CID117378480
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Namemethyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate
SMILESCOC(=O)C(O)c1ccc(OC)c2oc(C)cc12
InChIInChI=1S/C13H14O5/c1-7-6-9-8(11(14)13(15)17-3)4-5-10(16-2)12(9)18-7/h4-6,11,14H,1-3H3
InChIKeyQBJXROSSXADDCE-UHFFFAOYSA-N
XLogP1.96
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate
CID 117458145
methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
CID 117361997
methyl 2-hydroxy-2-(7-methoxy-1-benzothiophen-4-yl)acetate
CID 117383636
methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
3-(7-methoxy-2-methyl-1-benzofuran-4-yl)propanoic acid
CID 68629882
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate
CID 117442178
methyl 2-hydroxy-2-(4-methoxy-2-methyl-1H-indol-5-yl)acetate
CID 117375650
1-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)ethanol
CID 117354046
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117363678
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate (CID 117378480) is methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate is COC(=O)C(O)c1ccc(OC)c2oc(C)cc12.
What is the InChIKey of methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate?
The InChIKey is QBJXROSSXADDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c1-7-6-9-8(11(14)13(15)17-3)4-5-10(16-2)12(9)18-7/h4-6,11,14H,1-3H3.
What are the key properties of methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate?
methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate has a molecular weight of 250.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(7-methoxy-2-methyl-1-benzofuran-4-yl)acetate is sourced from PubChem (CID 117378480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).