methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate

C19H18O5S — CID 24946848

IUPACmethyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate
SMILESCOC(=O)Cc1ccc2oc(-c3ccc(O)c(OC)c3)c(SC)c2c1
InChIInChI=1S/C19H18O5S/c1-22-16-10-12(5-6-14(16)20)18-19(25-3)13-8-11(9-17(21)23-2)4-7-15(13)24-18/h4-8,10,20H,9H2,1-3H3
InChIKeyHXYFRGJIZUVGAD-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.25
Rot. Bonds5

About methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate

methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate (PubChem CID 24946848) has the molecular formula C19H18O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate
PubChem CID24946848
Molecular FormulaC19H18O5S
Molecular Weight358.42 g/mol
Exact Mass358.09
IUPAC Namemethyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate
SMILESCOC(=O)Cc1ccc2oc(-c3ccc(O)c(OC)c3)c(SC)c2c1
InChIInChI=1S/C19H18O5S/c1-22-16-10-12(5-6-14(16)20)18-19(25-3)13-8-11(9-17(21)23-2)4-7-15(13)24-18/h4-8,10,20H,9H2,1-3H3
InChIKeyHXYFRGJIZUVGAD-UHFFFAOYSA-N
XLogP4.25
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetamide
CID 24947585
2-methoxy-4-[5-(2-methoxyethyl)-3-methylsulfanyl-1-benzofuran-2-yl]phenol
CID 24946152
2-methoxy-4-(3-methyl-5-prop-2-enyl-1-benzofuran-2-yl)phenol
CID 172883297
2-[3-methoxy-4-(methoxymethoxy)phenyl]-5-(3-methoxypropyl)-3-methylsulfanyl-1-benzofuran
CID 24946510
2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-4-yl]propanoic acid
CID 91430647
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
methoxymethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 121224875
N,N-diethyl-2-[2-(4-hydroxy-3-methoxyphenyl)-1-benzofuran-5-yl]acetamide
CID 24947773
3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 56946608
2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58427526
3-[2-(3,4-dimethoxyphenyl)-3-methylsulfonyl-1-benzofuran-5-yl]propanoic acid
CID 141202506
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate?
The IUPAC name of methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate (CID 24946848) is methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate.
What is the SMILES notation for methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate?
The canonical SMILES for methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate is COC(=O)Cc1ccc2oc(-c3ccc(O)c(OC)c3)c(SC)c2c1.
What is the InChIKey of methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate?
The InChIKey is HXYFRGJIZUVGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5S/c1-22-16-10-12(5-6-14(16)20)18-19(25-3)13-8-11(9-17(21)23-2)4-7-15(13)24-18/h4-8,10,20H,9H2,1-3H3.
What are the key properties of methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate?
methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate has a molecular weight of 358.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate is sourced from PubChem (CID 24946848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).