7-[10-(dimethylamino)decoxy]chromen-2-one

C21H31NO3 — CID 11210151

IUPAC7-[10-(dimethylamino)decoxy]chromen-2-one
SMILESCN(C)CCCCCCCCCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C21H31NO3/c1-22(2)15-9-7-5-3-4-6-8-10-16-24-19-13-11-18-12-14-21(23)25-20(18)17-19/h11-14,17H,3-10,15-16H2,1-2H3
InChIKeyNCQQVFXDXODKMJ-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.85
Rot. Bonds12

About 7-[10-(dimethylamino)decoxy]chromen-2-one

7-[10-(dimethylamino)decoxy]chromen-2-one (PubChem CID 11210151) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is 7-[10-(dimethylamino)decoxy]chromen-2-one.

Molecular Properties

Compound Name7-[10-(dimethylamino)decoxy]chromen-2-one
PubChem CID11210151
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Name7-[10-(dimethylamino)decoxy]chromen-2-one
SMILESCN(C)CCCCCCCCCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C21H31NO3/c1-22(2)15-9-7-5-3-4-6-8-10-16-24-19-13-11-18-12-14-21(23)25-20(18)17-19/h11-14,17H,3-10,15-16H2,1-2H3
InChIKeyNCQQVFXDXODKMJ-UHFFFAOYSA-N
XLogP4.85
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.85
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

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CID 10228
Auraptene
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Methylumbelliferone
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4-Methylumbelliferyl acetate
CID 366
7-Ethoxycoumarin
CID 35703
Chromonar Hydrochloride
CID 9800972
Chromonar
CID 12604
4-Methyl-7-(2-propyn-1-yloxy)-2H-1-benzopyran-2-one
CID 68872
7-Methoxy-4-methylcoumarin
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Umbelliprenin
CID 1781413
7-Ethoxy-4-methylcoumarin
CID 66595

Frequently Asked Questions

What is the IUPAC name of 7-[10-(dimethylamino)decoxy]chromen-2-one?
The IUPAC name of 7-[10-(dimethylamino)decoxy]chromen-2-one (CID 11210151) is 7-[10-(dimethylamino)decoxy]chromen-2-one.
What is the SMILES notation for 7-[10-(dimethylamino)decoxy]chromen-2-one?
The canonical SMILES for 7-[10-(dimethylamino)decoxy]chromen-2-one is CN(C)CCCCCCCCCCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[10-(dimethylamino)decoxy]chromen-2-one?
The InChIKey is NCQQVFXDXODKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3/c1-22(2)15-9-7-5-3-4-6-8-10-16-24-19-13-11-18-12-14-21(23)25-20(18)17-19/h11-14,17H,3-10,15-16H2,1-2H3.
What are the key properties of 7-[10-(dimethylamino)decoxy]chromen-2-one?
7-[10-(dimethylamino)decoxy]chromen-2-one has a molecular weight of 345.48 g/mol, XLogP of 4.85, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(dimethylamino)decoxy]chromen-2-one is sourced from PubChem (CID 11210151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).