(3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol

C25H27NO3 — CID 67558112

IUPAC(3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol
SMILESCN(C)CCOc1ccc([C@@H]2c3cc(O)ccc3OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-26(2)14-15-28-21-11-8-19(9-12-21)25-22-16-20(27)10-13-24(22)29-17-23(25)18-6-4-3-5-7-18/h3-13,16,23,25,27H,14-15,17H2,1-2H3/t23-,25+/m0/s1
InChIKeyLHCZDTSMTKTELO-UKILVPOCSA-N
MW389.50 g/mol
LogP4.64
Rot. Bonds6

About (3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol

(3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol (PubChem CID 67558112) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is (3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name(3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol
PubChem CID67558112
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name(3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol
SMILESCN(C)CCOc1ccc([C@@H]2c3cc(O)ccc3OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-26(2)14-15-28-21-11-8-19(9-12-21)25-22-16-20(27)10-13-24(22)29-17-23(25)18-6-4-3-5-7-18/h3-13,16,23,25,27H,14-15,17H2,1-2H3/t23-,25+/m0/s1
InChIKeyLHCZDTSMTKTELO-UKILVPOCSA-N
XLogP4.64
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-[ethyl(methyl)amino]ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 19603860
(3S)-3-phenyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,4-dihydro-2H-chromen-6-ol
CID 67603491
(3R,4R)-3-phenyl-4-[4-(8-pyrrolidin-1-yloctoxy)phenyl]-3,4-dihydro-2H-chromen-6-ol
CID 67558949
methyl 2-[4-(6-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenyl]acetate
CID 67595871
methyl 2-[4-[(3R,4S)-6-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenyl]acetate
CID 67595872
N-butyl-N-[2-[4-(3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]butan-1-amine
CID 56975749
2-[4-[(4R)-7-hydroxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy]acetaldehyde
CID 163817078
1-[2-[4-(6-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl)phenoxy]ethyl]pyrrolidine
CID 18355487
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 166661948
(3S,4R)-3-(3,4-dimethoxyphenyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-6-ol
CID 54195958
4-(3-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)phenol
CID 18355593
4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 170446454

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of (3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol (CID 67558112) is (3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for (3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for (3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol is CN(C)CCOc1ccc([C@@H]2c3cc(O)ccc3OC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is LHCZDTSMTKTELO-UKILVPOCSA-N. The full InChI is InChI=1S/C25H27NO3/c1-26(2)14-15-28-21-11-8-19(9-12-21)25-22-16-20(27)10-13-24(22)29-17-23(25)18-6-4-3-5-7-18/h3-13,16,23,25,27H,14-15,17H2,1-2H3/t23-,25+/m0/s1.
What are the key properties of (3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol?
(3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 389.50 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 67558112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).