4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol

C23H23NO2 — CID 170446454

IUPAC4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
SMILESCN(C)c1ccc(C2c3ccc(O)cc3OCC2c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-24(2)18-10-8-17(9-11-18)23-20-13-12-19(25)14-22(20)26-15-21(23)16-6-4-3-5-7-16/h3-14,21,23,25H,15H2,1-2H3
InChIKeyDUTHMKZVQSSYQK-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.77
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol

4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 170446454) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
PubChem CID170446454
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
SMILESCN(C)c1ccc(C2c3ccc(O)cc3OCC2c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-24(2)18-10-8-17(9-11-18)23-20-13-12-19(25)14-22(20)26-15-21(23)16-6-4-3-5-7-16/h3-14,21,23,25H,15H2,1-2H3
InChIKeyDUTHMKZVQSSYQK-UHFFFAOYSA-N
XLogP4.77
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 146292723
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 166661948
(3S,4R)-3-phenyl-4-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 157198591
4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 170446465
methyl 2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]acetate
CID 54235827
methyl 2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]acetate
CID 67595470
4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 19603860
4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 58035760
1-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]piperidine-4-carbaldehyde
CID 155196578
(3S,4R)-4-[4-(4-deuteriopiperazin-1-yl)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 175906738
2-[4-[(4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy]acetaldehyde
CID 163817078
(3R,4S)-3-phenyl-4-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydro-2H-chromen-7-ol
CID 67596177

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol (CID 170446454) is 4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol is CN(C)c1ccc(C2c3ccc(O)cc3OCC2c2ccccc2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is DUTHMKZVQSSYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-24(2)18-10-8-17(9-11-18)23-20-13-12-19(25)14-22(20)26-15-21(23)16-6-4-3-5-7-16/h3-14,21,23,25H,15H2,1-2H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol?
4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 345.44 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 170446454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).