2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate

C17H24O4S — CID 88693962

IUPAC2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCOC(=O)CS)O2
InChIInChI=1S/C17H24O4S/c1-10-11(2)16-13(12(3)15(10)19)5-6-17(4,21-16)7-8-20-14(18)9-22/h19,22H,5-9H2,1-4H3
InChIKeyARKQFGWQEMYMPK-UHFFFAOYSA-N
MW324.44 g/mol
LogP3.26
Rot. Bonds4

About 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate

2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate (PubChem CID 88693962) has the molecular formula C17H24O4S and a molecular weight of 324.44 g/mol. Its IUPAC name is 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate.

Molecular Properties

Compound Name2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate
PubChem CID88693962
Molecular FormulaC17H24O4S
Molecular Weight324.44 g/mol
Exact Mass324.14
IUPAC Name2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCOC(=O)CS)O2
InChIInChI=1S/C17H24O4S/c1-10-11(2)16-13(12(3)15(10)19)5-6-17(4,21-16)7-8-20-14(18)9-22/h19,22H,5-9H2,1-4H3
InChIKeyARKQFGWQEMYMPK-UHFFFAOYSA-N
XLogP3.26
TPSA55.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate?
The IUPAC name of 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate (CID 88693962) is 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate.
What is the SMILES notation for 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate?
The canonical SMILES for 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCOC(=O)CS)O2.
What is the InChIKey of 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate?
The InChIKey is ARKQFGWQEMYMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4S/c1-10-11(2)16-13(12(3)15(10)19)5-6-17(4,21-16)7-8-20-14(18)9-22/h19,22H,5-9H2,1-4H3.
What are the key properties of 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate?
2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate has a molecular weight of 324.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl 2-sulfanylacetate is sourced from PubChem (CID 88693962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).