4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one

C24H26O6S2 — CID 167436354

IUPAC4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one
SMILESO=C1CC(SCCOCCOCCSC2CC(=O)Oc3ccccc32)c2ccccc2O1
InChIInChI=1S/C24H26O6S2/c25-23-15-21(17-5-1-3-7-19(17)29-23)31-13-11-27-9-10-28-12-14-32-22-16-24(26)30-20-8-4-2-6-18(20)22/h1-8,21-22H,9-16H2
InChIKeyVNGFRAMNLSPPNS-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.59
Rot. Bonds11

About 4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one

4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one (PubChem CID 167436354) has the molecular formula C24H26O6S2 and a molecular weight of 474.60 g/mol. Its IUPAC name is 4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one
PubChem CID167436354
Molecular FormulaC24H26O6S2
Molecular Weight474.60 g/mol
Exact Mass474.12
IUPAC Name4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one
SMILESO=C1CC(SCCOCCOCCSC2CC(=O)Oc3ccccc32)c2ccccc2O1
InChIInChI=1S/C24H26O6S2/c25-23-15-21(17-5-1-3-7-19(17)29-23)31-13-11-27-9-10-28-12-14-32-22-16-24(26)30-20-8-4-2-6-18(20)22/h1-8,21-22H,9-16H2
InChIKeyVNGFRAMNLSPPNS-UHFFFAOYSA-N
XLogP4.59
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one 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 4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one?
The IUPAC name of 4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one (CID 167436354) is 4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one.
What is the SMILES notation for 4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one?
The canonical SMILES for 4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one is O=C1CC(SCCOCCOCCSC2CC(=O)Oc3ccccc32)c2ccccc2O1.
What is the InChIKey of 4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one?
The InChIKey is VNGFRAMNLSPPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O6S2/c25-23-15-21(17-5-1-3-7-19(17)29-23)31-13-11-27-9-10-28-12-14-32-22-16-24(26)30-20-8-4-2-6-18(20)22/h1-8,21-22H,9-16H2.
What are the key properties of 4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one?
4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one has a molecular weight of 474.60 g/mol, XLogP of 4.59, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[(2-oxo-3,4-dihydrochromen-4-yl)sulfanyl]ethoxy]ethoxy]ethylsulfanyl]-3,4-dihydrochromen-2-one is sourced from PubChem (CID 167436354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).