(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one

C17H17NO2 — CID 70503591

IUPAC(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
SMILESCN(C)c1ccc([C@H]2CC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C17H17NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-10,17H,11H2,1-2H3/t17-/m1/s1
InChIKeyMDSBXFQOYRGPIW-QGZVFWFLSA-N
MW267.33 g/mol
LogP3.46
Rot. Bonds2

About (2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one

(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one (PubChem CID 70503591) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
PubChem CID70503591
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one
SMILESCN(C)c1ccc([C@H]2CC(=O)c3ccccc3O2)cc1
InChIInChI=1S/C17H17NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-10,17H,11H2,1-2H3/t17-/m1/s1
InChIKeyMDSBXFQOYRGPIW-QGZVFWFLSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one (CID 70503591) is (2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one is CN(C)c1ccc([C@H]2CC(=O)c3ccccc3O2)cc1.
What is the InChIKey of (2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one?
The InChIKey is MDSBXFQOYRGPIW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18(2)13-9-7-12(8-10-13)17-11-15(19)14-5-3-4-6-16(14)20-17/h3-10,17H,11H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one?
(2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one has a molecular weight of 267.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(dimethylamino)phenyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 70503591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).