4-(dimethylamino)-3-phenylchromen-2-one

C17H15NO2 — CID 141378556

IUPAC4-(dimethylamino)-3-phenylchromen-2-one
SMILESCN(C)c1c(-c2ccccc2)c(=O)oc2ccccc12
InChIInChI=1S/C17H15NO2/c1-18(2)16-13-10-6-7-11-14(13)20-17(19)15(16)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyJVOOIMGPINXMCS-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.53
Rot. Bonds2

About 4-(dimethylamino)-3-phenylchromen-2-one

4-(dimethylamino)-3-phenylchromen-2-one (PubChem CID 141378556) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(dimethylamino)-3-phenylchromen-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-3-phenylchromen-2-one
PubChem CID141378556
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-(dimethylamino)-3-phenylchromen-2-one
SMILESCN(C)c1c(-c2ccccc2)c(=O)oc2ccccc12
InChIInChI=1S/C17H15NO2/c1-18(2)16-13-10-6-7-11-14(13)20-17(19)15(16)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyJVOOIMGPINXMCS-UHFFFAOYSA-N
XLogP3.53
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-3-methylchromen-2-one
CID 87273287
4-amino-3-phenylchromen-2-one
CID 617040
3-ethenyl-4-phenylchromen-2-one
CID 24787269
4-anilino-3-phenylchromen-2-one
CID 2785512
2-oxo-3-phenylchromene-4-carboxamide
CID 168655029
3-acetyl-4-phenylchromen-2-one
CID 56965161
3-phenyl-4-phenylmethoxychromen-2-one
CID 70697167
4-(2,2-diphenylethenyl)-3-phenylchromen-2-one
CID 132820910
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
3-benzoyl-4-phenylchromen-2-one
CID 629843
N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline
CID 134309993
3-phenyl-4-(2H-triazol-4-yl)chromen-2-one
CID 154181703

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-phenylchromen-2-one?
The IUPAC name of 4-(dimethylamino)-3-phenylchromen-2-one (CID 141378556) is 4-(dimethylamino)-3-phenylchromen-2-one.
What is the SMILES notation for 4-(dimethylamino)-3-phenylchromen-2-one?
The canonical SMILES for 4-(dimethylamino)-3-phenylchromen-2-one is CN(C)c1c(-c2ccccc2)c(=O)oc2ccccc12.
What is the InChIKey of 4-(dimethylamino)-3-phenylchromen-2-one?
The InChIKey is JVOOIMGPINXMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18(2)16-13-10-6-7-11-14(13)20-17(19)15(16)12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of 4-(dimethylamino)-3-phenylchromen-2-one?
4-(dimethylamino)-3-phenylchromen-2-one has a molecular weight of 265.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-phenylchromen-2-one is sourced from PubChem (CID 141378556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).