7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one

C20H21NO3 — CID 171393834

IUPAC7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one
SMILESCCC(c1ccccc1)c1c(O)c2ccc(N(C)C)cc2oc1=O
InChIInChI=1S/C20H21NO3/c1-4-15(13-8-6-5-7-9-13)18-19(22)16-11-10-14(21(2)3)12-17(16)24-20(18)23/h5-12,15,22H,4H2,1-3H3
InChIKeyTXYQVHRQPSFQPU-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.11
Rot. Bonds4

About 7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one

7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one (PubChem CID 171393834) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one
PubChem CID171393834
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one
SMILESCCC(c1ccccc1)c1c(O)c2ccc(N(C)C)cc2oc1=O
InChIInChI=1S/C20H21NO3/c1-4-15(13-8-6-5-7-9-13)18-19(22)16-11-10-14(21(2)3)12-17(16)24-20(18)23/h5-12,15,22H,4H2,1-3H3
InChIKeyTXYQVHRQPSFQPU-UHFFFAOYSA-N
XLogP4.11
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one?
The IUPAC name of 7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one (CID 171393834) is 7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one.
What is the SMILES notation for 7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one?
The canonical SMILES for 7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one is CCC(c1ccccc1)c1c(O)c2ccc(N(C)C)cc2oc1=O.
What is the InChIKey of 7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one?
The InChIKey is TXYQVHRQPSFQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-15(13-8-6-5-7-9-13)18-19(22)16-11-10-14(21(2)3)12-17(16)24-20(18)23/h5-12,15,22H,4H2,1-3H3.
What are the key properties of 7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one?
7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one has a molecular weight of 323.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-4-hydroxy-3-(1-phenylpropyl)chromen-2-one is sourced from PubChem (CID 171393834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).