2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one

C38H35NO8 — CID 54578220

IUPAC2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(OCCOCCNCCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12
InChIInChI=1S/C38H35NO8/c40-33-25-37(46-35-7-3-1-5-31(33)35)27-9-13-29(14-10-27)44-23-21-42-19-17-39-18-20-43-22-24-45-30-15-11-28(12-16-30)38-26-34(41)32-6-2-4-8-36(32)47-38/h1-16,25-26,39H,17-24H2
InChIKeyQNSMNOLEXNMSSI-UHFFFAOYSA-N
MW633.70 g/mol
LogP6.31
Rot. Bonds16

About 2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one

2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one (PubChem CID 54578220) has the molecular formula C38H35NO8 and a molecular weight of 633.70 g/mol. Its IUPAC name is 2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one
PubChem CID54578220
Molecular FormulaC38H35NO8
Molecular Weight633.70 g/mol
Exact Mass633.24
IUPAC Name2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(OCCOCCNCCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12
InChIInChI=1S/C38H35NO8/c40-33-25-37(46-35-7-3-1-5-31(33)35)27-9-13-29(14-10-27)44-23-21-42-19-17-39-18-20-43-22-24-45-30-15-11-28(12-16-30)38-26-34(41)32-6-2-4-8-36(32)47-38/h1-16,25-26,39H,17-24H2
InChIKeyQNSMNOLEXNMSSI-UHFFFAOYSA-N
XLogP6.31
TPSA109.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.70
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one?
The IUPAC name of 2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one (CID 54578220) is 2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one.
What is the SMILES notation for 2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one?
The canonical SMILES for 2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one is O=c1cc(-c2ccc(OCCOCCNCCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12.
What is the InChIKey of 2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one?
The InChIKey is QNSMNOLEXNMSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35NO8/c40-33-25-37(46-35-7-3-1-5-31(33)35)27-9-13-29(14-10-27)44-23-21-42-19-17-39-18-20-43-22-24-45-30-15-11-28(12-16-30)38-26-34(41)32-6-2-4-8-36(32)47-38/h1-16,25-26,39H,17-24H2.
What are the key properties of 2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one?
2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one has a molecular weight of 633.70 g/mol, XLogP of 6.31, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethylamino]ethoxy]ethoxy]phenyl]chromen-4-one is sourced from PubChem (CID 54578220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).