2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol

C24H23NO2S — CID 15171831

IUPAC2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C#Cc1ccc(-c3ccccn3)s1)O2
InChIInChI=1S/C24H23NO2S/c1-15-16(2)23-19(17(3)22(15)26)11-13-24(4,27-23)12-10-18-8-9-21(28-18)20-7-5-6-14-25-20/h5-9,14,26H,11,13H2,1-4H3
InChIKeyGRDRVWOCLGYQNB-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.58
Rot. Bonds1

About 2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol

2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol (PubChem CID 15171831) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol
PubChem CID15171831
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(C#Cc1ccc(-c3ccccn3)s1)O2
InChIInChI=1S/C24H23NO2S/c1-15-16(2)23-19(17(3)22(15)26)11-13-24(4,27-23)12-10-18-8-9-21(28-18)20-7-5-6-14-25-20/h5-9,14,26H,11,13H2,1-4H3
InChIKeyGRDRVWOCLGYQNB-UHFFFAOYSA-N
XLogP5.58
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol (CID 15171831) is 2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(C#Cc1ccc(-c3ccccn3)s1)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol?
The InChIKey is GRDRVWOCLGYQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-15-16(2)23-19(17(3)22(15)26)11-13-24(4,27-23)12-10-18-8-9-21(28-18)20-7-5-6-14-25-20/h5-9,14,26H,11,13H2,1-4H3.
What are the key properties of 2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol has a molecular weight of 389.52 g/mol, XLogP of 5.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 15171831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).