2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol

C60H78N2O7 — CID 162023524

IUPAC2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol
SMILESCC(C)N(CCC(c1ccccc1)c1cc(CO)ccc1O)C(C)C.CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C.OCc1ccc2c(c1)C(c1ccccc1)CC(O)O2
InChIInChI=1S/2C22H31NO2.C16H16O3/c2*1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25;17-10-11-6-7-15-14(8-11)13(9-16(18)19-15)12-4-2-1-3-5-12/h2*5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3;1-8,13,16-18H,9-10H2/t20-;;/m1../s1
InChIKeyYVBGLGXXMNPUFN-FAVHNTAZSA-N
MW939.29 g/mol
LogP11.46
Rot. Bonds18

About 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol

2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol (PubChem CID 162023524) has the molecular formula C60H78N2O7 and a molecular weight of 939.29 g/mol. Its IUPAC name is 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol.

Molecular Properties

Compound Name2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol
PubChem CID162023524
Molecular FormulaC60H78N2O7
Molecular Weight939.29 g/mol
Exact Mass938.58
IUPAC Name2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol
SMILESCC(C)N(CCC(c1ccccc1)c1cc(CO)ccc1O)C(C)C.CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C.OCc1ccc2c(c1)C(c1ccccc1)CC(O)O2
InChIInChI=1S/2C22H31NO2.C16H16O3/c2*1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25;17-10-11-6-7-15-14(8-11)13(9-16(18)19-15)12-4-2-1-3-5-12/h2*5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3;1-8,13,16-18H,9-10H2/t20-;;/m1../s1
InChIKeyYVBGLGXXMNPUFN-FAVHNTAZSA-N
XLogP11.46
TPSA137.09 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500939.29
LogP ≤ 511.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol with MolForge

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Related Compounds

2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol
CID 157058753
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-ethylphenol
CID 22677023
(2R)-2-acetyloxy-2-phenylacetic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
CID 86680237
4-[2-[di(propan-2-yl)amino]ethyl]-2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]phenol;hydrochloride
CID 18357394
2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(propan-2-yloxymethyl)phenol
CID 22735213
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;(E)-3-formyloxyprop-2-enoic acid
CID 157342055
lithium;alumane;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;hydride;methyl 3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxybenzoate
CID 159737398
(4R)-6-acetyl-4-phenyl-3,4-dihydrochromen-2-one;4-(hydroxymethyl)-2-[(1R)-3-hydroxy-1-phenylpropyl]phenol
CID 158898022
[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]methanol
CID 15434420
sodium;(E)-but-2-enedioic acid;2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;bis([3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]methanol);hydroxide
CID 161118759
3-[3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]propanenitrile
CID 18357318
[2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl] cyclopropanecarboxylate;hydrochloride
CID 20760553

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol?
The IUPAC name of 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol (CID 162023524) is 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol.
What is the SMILES notation for 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol?
The canonical SMILES for 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol is CC(C)N(CCC(c1ccccc1)c1cc(CO)ccc1O)C(C)C.CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1O)C(C)C.OCc1ccc2c(c1)C(c1ccccc1)CC(O)O2.
What is the InChIKey of 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol?
The InChIKey is YVBGLGXXMNPUFN-FAVHNTAZSA-N. The full InChI is InChI=1S/2C22H31NO2.C16H16O3/c2*1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25;17-10-11-6-7-15-14(8-11)13(9-16(18)19-15)12-4-2-1-3-5-12/h2*5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3;1-8,13,16-18H,9-10H2/t20-;;/m1../s1.
What are the key properties of 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol?
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol has a molecular weight of 939.29 g/mol, XLogP of 11.46, 18 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;2-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol;6-(hydroxymethyl)-4-phenyl-3,4-dihydro-2H-chromen-2-ol is sourced from PubChem (CID 162023524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).