7-[8-(dimethylamino)octoxy]chromen-2-one

C19H27NO3 — CID 11438512

IUPAC7-[8-(dimethylamino)octoxy]chromen-2-one
SMILESCN(C)CCCCCCCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H27NO3/c1-20(2)13-7-5-3-4-6-8-14-22-17-11-9-16-10-12-19(21)23-18(16)15-17/h9-12,15H,3-8,13-14H2,1-2H3
InChIKeyWPWXHCZTYHXJAB-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.07
Rot. Bonds10

About 7-[8-(dimethylamino)octoxy]chromen-2-one

7-[8-(dimethylamino)octoxy]chromen-2-one (PubChem CID 11438512) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 7-[8-(dimethylamino)octoxy]chromen-2-one.

Molecular Properties

Compound Name7-[8-(dimethylamino)octoxy]chromen-2-one
PubChem CID11438512
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name7-[8-(dimethylamino)octoxy]chromen-2-one
SMILESCN(C)CCCCCCCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H27NO3/c1-20(2)13-7-5-3-4-6-8-14-22-17-11-9-16-10-12-19(21)23-18(16)15-17/h9-12,15H,3-8,13-14H2,1-2H3
InChIKeyWPWXHCZTYHXJAB-UHFFFAOYSA-N
XLogP4.07
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.07
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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Auraptene
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7-Ethoxycoumarin
CID 35703
Chromonar Hydrochloride
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Chromonar
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7-Methoxy-4-methylcoumarin
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CID 1781413
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CID 66595

Frequently Asked Questions

What is the IUPAC name of 7-[8-(dimethylamino)octoxy]chromen-2-one?
The IUPAC name of 7-[8-(dimethylamino)octoxy]chromen-2-one (CID 11438512) is 7-[8-(dimethylamino)octoxy]chromen-2-one.
What is the SMILES notation for 7-[8-(dimethylamino)octoxy]chromen-2-one?
The canonical SMILES for 7-[8-(dimethylamino)octoxy]chromen-2-one is CN(C)CCCCCCCCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[8-(dimethylamino)octoxy]chromen-2-one?
The InChIKey is WPWXHCZTYHXJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-20(2)13-7-5-3-4-6-8-14-22-17-11-9-16-10-12-19(21)23-18(16)15-17/h9-12,15H,3-8,13-14H2,1-2H3.
What are the key properties of 7-[8-(dimethylamino)octoxy]chromen-2-one?
7-[8-(dimethylamino)octoxy]chromen-2-one has a molecular weight of 317.43 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-(dimethylamino)octoxy]chromen-2-one is sourced from PubChem (CID 11438512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).