3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one

C28H30O6 — CID 146169932

IUPAC3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
SMILESO=c1oc2ccccc2cc1OCCCCCCCCCCOc1cc2ccccc2oc1=O
InChIInChI=1S/C28H30O6/c29-27-25(19-21-13-7-9-15-23(21)33-27)31-17-11-5-3-1-2-4-6-12-18-32-26-20-22-14-8-10-16-24(22)34-28(26)30/h7-10,13-16,19-20H,1-6,11-12,17-18H2
InChIKeyKZFDENUUUAYTLI-UHFFFAOYSA-N
MW462.54 g/mol
LogP6.48
Rot. Bonds13

About 3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one

3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one (PubChem CID 146169932) has the molecular formula C28H30O6 and a molecular weight of 462.54 g/mol. Its IUPAC name is 3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one.

Molecular Properties

Compound Name3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
PubChem CID146169932
Molecular FormulaC28H30O6
Molecular Weight462.54 g/mol
Exact Mass462.20
IUPAC Name3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
SMILESO=c1oc2ccccc2cc1OCCCCCCCCCCOc1cc2ccccc2oc1=O
InChIInChI=1S/C28H30O6/c29-27-25(19-21-13-7-9-15-23(21)33-27)31-17-11-5-3-1-2-4-6-12-18-32-26-20-22-14-8-10-16-24(22)34-28(26)30/h7-10,13-16,19-20H,1-6,11-12,17-18H2
InChIKeyKZFDENUUUAYTLI-UHFFFAOYSA-N
XLogP6.48
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.54
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethoxy)chromen-2-one
CID 141445941
3-(2,2-diiodoethoxy)chromen-2-one
CID 54237497
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CID 71508422
2-[2-(2-oxochromen-3-yl)oxyethyl]tetradecanenitrile
CID 20515414
3-[(2-bromophenyl)methoxy]chromen-2-one
CID 11484334
dimethyl 2,6-dimethyl-4-[2-[4-(2-oxochromen-3-yl)oxybutoxy]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 23438919
3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one
CID 132548906
3-[2-(4-fluorophenyl)-2-oxoethoxy]chromen-2-one
CID 127042745
carbonic acid;(2-oxochromen-3-yl) acetate
CID 87637684
3-(1-bromopropan-2-yloxy)chromen-2-one
CID 141445966
3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
CID 53484007
3-(oxolan-2-yloxy)chromen-2-one
CID 132524996

Frequently Asked Questions

What is the IUPAC name of 3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one?
The IUPAC name of 3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one (CID 146169932) is 3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one.
What is the SMILES notation for 3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one?
The canonical SMILES for 3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one is O=c1oc2ccccc2cc1OCCCCCCCCCCOc1cc2ccccc2oc1=O.
What is the InChIKey of 3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one?
The InChIKey is KZFDENUUUAYTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O6/c29-27-25(19-21-13-7-9-15-23(21)33-27)31-17-11-5-3-1-2-4-6-12-18-32-26-20-22-14-8-10-16-24(22)34-28(26)30/h7-10,13-16,19-20H,1-6,11-12,17-18H2.
What are the key properties of 3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one?
3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one has a molecular weight of 462.54 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one is sourced from PubChem (CID 146169932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).