methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate

C12H12O4 — CID 15391031

IUPACmethyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate
SMILESCOC(=O)CCc1cc2ccoc2cc1O
InChIInChI=1S/C12H12O4/c1-15-12(14)3-2-8-6-9-4-5-16-11(9)7-10(8)13/h4-7,13H,2-3H2,1H3
InChIKeyNLTUVCNZNQAURV-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.24
Rot. Bonds3

About methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate

methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate (PubChem CID 15391031) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate
PubChem CID15391031
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Namemethyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate
SMILESCOC(=O)CCc1cc2ccoc2cc1O
InChIInChI=1S/C12H12O4/c1-15-12(14)3-2-8-6-9-4-5-16-11(9)7-10(8)13/h4-7,13H,2-3H2,1H3
InChIKeyNLTUVCNZNQAURV-UHFFFAOYSA-N
XLogP2.24
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 12862928
methyl 3-(4-bromo-2-hydroxyphenyl)propanoate
CID 154733783
methyl 3-(2-amino-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoate
CID 166125517
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634678
6-hydroxy-1-benzofuran-5-carboxylic acid
CID 83681607
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976
methyl 3-(2,4-dichloro-3,5-dihydroxyphenyl)propanoate
CID 156581424
2-(6-methoxy-1-benzofuran-5-yl)ethanol;2-[2-(6-methoxy-1-benzofuran-5-yl)ethoxy]acetic acid
CID 157262863
methyl 3-[5-(2-fluoro-4,6-dihydroxybenzoyl)-2-hydroxyphenyl]propanoate
CID 23021513
methyl 3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343201
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate?
The IUPAC name of methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate (CID 15391031) is methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate.
What is the SMILES notation for methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate?
The canonical SMILES for methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate is COC(=O)CCc1cc2ccoc2cc1O.
What is the InChIKey of methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate?
The InChIKey is NLTUVCNZNQAURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-15-12(14)3-2-8-6-9-4-5-16-11(9)7-10(8)13/h4-7,13H,2-3H2,1H3.
What are the key properties of methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate?
methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate has a molecular weight of 220.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate is sourced from PubChem (CID 15391031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).