[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium

C21H22NO2+ — CID 6948811

IUPAC[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium
SMILESOc1cccc([C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H21NO2/c23-20-8-4-7-19(13-20)21(24)15-22-14-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13,21-24H,14-15H2/p+1/t21-/m0/s1
InChIKeyUECKKYNEEBRMIL-NRFANRHFSA-O
MW320.41 g/mol
LogP2.86
Rot. Bonds6

About [(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium

[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium (PubChem CID 6948811) has the molecular formula C21H22NO2+ and a molecular weight of 320.41 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium
PubChem CID6948811
Molecular FormulaC21H22NO2+
Molecular Weight320.41 g/mol
Exact Mass320.16
IUPAC Name[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium
SMILESOc1cccc([C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H21NO2/c23-20-8-4-7-19(13-20)21(24)15-22-14-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13,21-24H,14-15H2/p+1/t21-/m0/s1
InChIKeyUECKKYNEEBRMIL-NRFANRHFSA-O
XLogP2.86
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)methyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium
CID 7827259
[(2R)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
CID 8623097
[(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
CID 8623092
(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium
CID 7394464
[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8621627
benzyl-[[4-[3,5-bis[4-[(benzylazaniumyl)methyl]phenyl]phenyl]phenyl]methyl]azanium
CID 101337215
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium
CID 8622860
3-[4-(aminomethyl)phenyl]phenol
CID 82038924
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963
[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-(2-hydroxy-2-phenylethyl)azanium chloride
CID 44664906
octalen-2-ol
CID 174999308
3-[2-[benzyl(trideuteriomethyl)amino]-1-hydroxyethyl]phenol
CID 71313919

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium?
The IUPAC name of [(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium (CID 6948811) is [(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium.
What is the SMILES notation for [(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium?
The canonical SMILES for [(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium is Oc1cccc([C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of [(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium?
The InChIKey is UECKKYNEEBRMIL-NRFANRHFSA-O. The full InChI is InChI=1S/C21H21NO2/c23-20-8-4-7-19(13-20)21(24)15-22-14-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-13,21-24H,14-15H2/p+1/t21-/m0/s1.
What are the key properties of [(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium?
[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium has a molecular weight of 320.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(4-phenylphenyl)methyl]azanium is sourced from PubChem (CID 6948811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).