GRDRVWOCLGYQNB-UHFFFAOYSA-N

C₂₄H₂₃NO₂S — CID 15171831

About GRDRVWOCLGYQNB-UHFFFAOYSA-N

GRDRVWOCLGYQNB-UHFFFAOYSA-N (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 Name: GRDRVWOCLGYQNB-UHFFFAOYSA-N
• PubChem CID: 15171831
• Molecular Formula: C₂₄H₂₃NO₂S
• Molecular Weight: 389.52 g/mol
• Exact Mass: 389.14
• IUPAC Name: 2,5,7,8-tetramethyl-2-[2-(5-pyridin-2-ylthiophen-2-yl)ethynyl]-3,4-dihydrochromen-6-ol
• SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(C#Cc1ccc(-c3ccccn3)s1)O2
• InChI: 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
• InChIKey: GRDRVWOCLGYQNB-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.52
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of GRDRVWOCLGYQNB-UHFFFAOYSA-N?

The IUPAC name of GRDRVWOCLGYQNB-UHFFFAOYSA-N (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 GRDRVWOCLGYQNB-UHFFFAOYSA-N?

The canonical SMILES for GRDRVWOCLGYQNB-UHFFFAOYSA-N is Cc1c(C)c2c(c(C)c1O)CCC(C)(C#Cc1ccc(-c3ccccn3)s1)O2.

What is the InChIKey of GRDRVWOCLGYQNB-UHFFFAOYSA-N?

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 GRDRVWOCLGYQNB-UHFFFAOYSA-N?

GRDRVWOCLGYQNB-UHFFFAOYSA-N 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 GRDRVWOCLGYQNB-UHFFFAOYSA-N is sourced from PubChem (CID 15171831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15171831 — identifiers, structure, computed properties (public domain)

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