7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one

C23H20N2O4 — CID 46933629

IUPAC7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
SMILESCc1cc(C)n(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)n1
InChIInChI=1S/C23H20N2O4/c1-14-11-15(2)25(24-14)21(26)13-28-20-10-9-18-19(17-7-5-4-6-8-17)12-22(27)29-23(18)16(20)3/h4-12H,13H2,1-3H3
InChIKeyPHPDMOSFWWXKFS-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.30
Rot. Bonds4

About 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one

7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one (PubChem CID 46933629) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one.

Molecular Properties

Compound Name7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
PubChem CID46933629
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
SMILESCc1cc(C)n(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)n1
InChIInChI=1S/C23H20N2O4/c1-14-11-15(2)25(24-14)21(26)13-28-20-10-9-18-19(17-7-5-4-6-8-17)12-22(27)29-23(18)16(20)3/h4-12H,13H2,1-3H3
InChIKeyPHPDMOSFWWXKFS-UHFFFAOYSA-N
XLogP4.30
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one?
The IUPAC name of 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one (CID 46933629) is 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one.
What is the SMILES notation for 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one?
The canonical SMILES for 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one is Cc1cc(C)n(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)n1.
What is the InChIKey of 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one?
The InChIKey is PHPDMOSFWWXKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-11-15(2)25(24-14)21(26)13-28-20-10-9-18-19(17-7-5-4-6-8-17)12-22(27)29-23(18)16(20)3/h4-12H,13H2,1-3H3.
What are the key properties of 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one?
7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one has a molecular weight of 388.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one is sourced from PubChem (CID 46933629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).