methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate

C11H12O4 — CID 91828033

IUPACmethyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
SMILESCOC(=O)CC1COc2c(O)cccc21
InChIInChI=1S/C11H12O4/c1-14-10(13)5-7-6-15-11-8(7)3-2-4-9(11)12/h2-4,7,12H,5-6H2,1H3
InChIKeyNWMCEEJWYBTHIH-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.43
Rot. Bonds2

About methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate

methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate (PubChem CID 91828033) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
PubChem CID91828033
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namemethyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
SMILESCOC(=O)CC1COc2c(O)cccc21
InChIInChI=1S/C11H12O4/c1-14-10(13)5-7-6-15-11-8(7)3-2-4-9(11)12/h2-4,7,12H,5-6H2,1H3
InChIKeyNWMCEEJWYBTHIH-UHFFFAOYSA-N
XLogP1.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate?
The IUPAC name of methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate (CID 91828033) is methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate.
What is the SMILES notation for methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate?
The canonical SMILES for methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate is COC(=O)CC1COc2c(O)cccc21.
What is the InChIKey of methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate?
The InChIKey is NWMCEEJWYBTHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-14-10(13)5-7-6-15-11-8(7)3-2-4-9(11)12/h2-4,7,12H,5-6H2,1H3.
What are the key properties of methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate?
methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate has a molecular weight of 208.21 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 91828033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).