(4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate

C15H16O4S — CID 68960165

IUPAC(4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate
SMILESCOc1ccc(COC(=O)C(CO)c2cccs2)cc1
InChIInChI=1S/C15H16O4S/c1-18-12-6-4-11(5-7-12)10-19-15(17)13(9-16)14-3-2-8-20-14/h2-8,13,16H,9-10H2,1H3
InChIKeyUDHDZUCSGXWTGL-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.58
Rot. Bonds6

About (4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate

(4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate (PubChem CID 68960165) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate
PubChem CID68960165
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name(4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate
SMILESCOc1ccc(COC(=O)C(CO)c2cccs2)cc1
InChIInChI=1S/C15H16O4S/c1-18-12-6-4-11(5-7-12)10-19-15(17)13(9-16)14-3-2-8-20-14/h2-8,13,16H,9-10H2,1H3
InChIKeyUDHDZUCSGXWTGL-UHFFFAOYSA-N
XLogP2.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-2-thiophen-2-ylpentan-3-one
CID 142647578
(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate
CID 61303513
methyl 4-(4-methoxyphenyl)-4-oxo-2-thiophen-2-ylbutanoate
CID 54343280
(2,4,6-trimethylphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate
CID 68961757
(4-methoxyphenyl)methyl 2-amino-3-sulfanylpropanoate
CID 61304102
(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate
CID 61304700
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 42960691
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
3-(2-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22687405
(4-methoxyphenyl)methyl 2-(aminomethyl)-3-methylbutanoate
CID 65217996

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate?
The IUPAC name of (4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate (CID 68960165) is (4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate.
What is the SMILES notation for (4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate?
The canonical SMILES for (4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate is COc1ccc(COC(=O)C(CO)c2cccs2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate?
The InChIKey is UDHDZUCSGXWTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-18-12-6-4-11(5-7-12)10-19-15(17)13(9-16)14-3-2-8-20-14/h2-8,13,16H,9-10H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate?
(4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate has a molecular weight of 292.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 3-hydroxy-2-thiophen-2-ylpropanoate is sourced from PubChem (CID 68960165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).