3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one

C24H22O4 — CID 132548906

IUPAC3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one
SMILESO=c1oc2ccccc2cc1CCCCCCc1cc2ccccc2oc1=O
InChIInChI=1S/C24H22O4/c25-23-19(15-17-9-5-7-13-21(17)27-23)11-3-1-2-4-12-20-16-18-10-6-8-14-22(18)28-24(20)26/h5-10,13-16H,1-4,11-12H2
InChIKeyOZLTZSSQXASHNW-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.24
Rot. Bonds7

About 3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one

3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one (PubChem CID 132548906) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one.

Molecular Properties

Compound Name3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one
PubChem CID132548906
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one
SMILESO=c1oc2ccccc2cc1CCCCCCc1cc2ccccc2oc1=O
InChIInChI=1S/C24H22O4/c25-23-19(15-17-9-5-7-13-21(17)27-23)11-3-1-2-4-12-20-16-18-10-6-8-14-22(18)28-24(20)26/h5-10,13-16H,1-4,11-12H2
InChIKeyOZLTZSSQXASHNW-UHFFFAOYSA-N
XLogP5.24
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bromoethyl)chromen-2-one;methanamine
CID 175061055
3-(hydroxymethyl)chromen-2-one
CID 22921481
2-(2-oxochromen-3-yl)acetyl bromide
CID 166175025
3-[3-(4-methoxyanilino)propyl]chromen-2-one
CID 50941620
3-[3-(2-benzylanilino)propyl]chromen-2-one
CID 50941618
acetic acid;3-(hydroxymethyl)chromen-2-one
CID 174966490
3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
CID 146169932
[(2-oxochromen-3-yl)methylamino]methanesulfonic acid
CID 167094488
2-butylbenzo[f]chromen-3-one
CID 162410575
N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen
CID 170712291
3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one
CID 10355547
3-oxo-4-(2-oxochromen-3-yl)butane-1-sulfonic acid
CID 139325098

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one?
The IUPAC name of 3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one (CID 132548906) is 3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one.
What is the SMILES notation for 3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one?
The canonical SMILES for 3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one is O=c1oc2ccccc2cc1CCCCCCc1cc2ccccc2oc1=O.
What is the InChIKey of 3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one?
The InChIKey is OZLTZSSQXASHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c25-23-19(15-17-9-5-7-13-21(17)27-23)11-3-1-2-4-12-20-16-18-10-6-8-14-22(18)28-24(20)26/h5-10,13-16H,1-4,11-12H2.
What are the key properties of 3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one?
3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one has a molecular weight of 374.44 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one is sourced from PubChem (CID 132548906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).