4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol

C26H29NO3 — CID 19603860

IUPAC4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
SMILESCCN(C)CCOc1ccc(C2c3ccc(O)cc3OCC2c2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-3-27(2)15-16-29-22-12-9-20(10-13-22)26-23-14-11-21(28)17-25(23)30-18-24(26)19-7-5-4-6-8-19/h4-14,17,24,26,28H,3,15-16,18H2,1-2H3
InChIKeyXFJQTKHQWTZHHZ-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.03
Rot. Bonds7

About 4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol

4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol (PubChem CID 19603860) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
PubChem CID19603860
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
SMILESCCN(C)CCOc1ccc(C2c3ccc(O)cc3OCC2c2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-3-27(2)15-16-29-22-12-9-20(10-13-22)26-23-14-11-21(28)17-25(23)30-18-24(26)19-7-5-4-6-8-19/h4-14,17,24,26,28H,3,15-16,18H2,1-2H3
InChIKeyXFJQTKHQWTZHHZ-UHFFFAOYSA-N
XLogP5.03
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol
CID 67558112
2-[4-[(4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy]acetaldehyde
CID 163817078
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 166661948
4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 170446454
(3S,4R)-3-(4-phenylphenyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-7-ol
CID 20703954
4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol
CID 18355593
N-butyl-N-[2-[4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]butan-1-amine
CID 18800928
(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 146292723
N-butyl-N-[2-[4-(3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]butan-1-amine
CID 56975749
2-[2-(2,4-dioxocyclohexyl)-1-oxoisoindol-2-ium-5-yl]oxy-N-[2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy]ethyl]-N-methylacetamide
CID 160937673
methyl 2-[4-(7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]acetate
CID 67595470
methyl 2-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]acetate
CID 54235827

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol (CID 19603860) is 4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol is CCN(C)CCOc1ccc(C2c3ccc(O)cc3OCC2c2ccccc2)cc1.
What is the InChIKey of 4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is XFJQTKHQWTZHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-3-27(2)15-16-29-22-12-9-20(10-13-22)26-23-14-11-21(28)17-25(23)30-18-24(26)19-7-5-4-6-8-19/h4-14,17,24,26,28H,3,15-16,18H2,1-2H3.
What are the key properties of 4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol?
4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 403.52 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 19603860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).