ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate

C15H18O5 — CID 45271515

IUPACethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate
SMILESCCOC(=O)CCc1c(C)oc2cc(OC)c(O)cc12
InChIInChI=1S/C15H18O5/c1-4-19-15(17)6-5-10-9(2)20-13-8-14(18-3)12(16)7-11(10)13/h7-8,16H,4-6H2,1-3H3
InChIKeyPWTTZFIDOABFCN-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.95
Rot. Bonds5

About ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate

ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate (PubChem CID 45271515) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate
PubChem CID45271515
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Nameethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate
SMILESCCOC(=O)CCc1c(C)oc2cc(OC)c(O)cc12
InChIInChI=1S/C15H18O5/c1-4-19-15(17)6-5-10-9(2)20-13-8-14(18-3)12(16)7-11(10)13/h7-8,16H,4-6H2,1-3H3
InChIKeyPWTTZFIDOABFCN-UHFFFAOYSA-N
XLogP2.95
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid
CID 45269018
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
ethyl 3-(2,7-dimethyl-4-oxochromen-3-yl)propanoate;ethyl 3-(7-hydroxy-2-methyl-4-oxochromen-3-yl)propanoate;methane
CID 159885539
ethyl 3-[2,3,4-trimethoxy-6-(methylamino)phenyl]propanoate
CID 142882125
3-butyl-6-hydroxy-7-methoxy-4-methylchromen-2-one
CID 19927645
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332
ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate
CID 59859864
6-methoxy-2-methyl-3-(2-oxopropyl)-1-benzofuran-5-carbonitrile
CID 15921123
ethyl 2-(6,7-dimethoxy-2-oxochromen-4-yl)acetate
CID 11358293
ethyl 4-(5-methoxy-2-methyl-1-benzofuran-3-yl)-4-oxobutanoate
CID 3124075
ethyl 3-(2-chloro-6-methoxyphenyl)propanoate
CID 134632461

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate?
The IUPAC name of ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate (CID 45271515) is ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate?
The canonical SMILES for ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate is CCOC(=O)CCc1c(C)oc2cc(OC)c(O)cc12.
What is the InChIKey of ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate?
The InChIKey is PWTTZFIDOABFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-4-19-15(17)6-5-10-9(2)20-13-8-14(18-3)12(16)7-11(10)13/h7-8,16H,4-6H2,1-3H3.
What are the key properties of ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate?
ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate has a molecular weight of 278.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-hydroxy-6-methoxy-2-methyl-1-benzofuran-3-yl)propanoate is sourced from PubChem (CID 45271515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).