2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride

C20H26ClNO3 — CID 110174249

IUPAC2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
SMILESCCC(C[NH2+]C(C)C(O)c1ccccc1)C(=O)c1ccc(O)cc1.[Cl-]
InChIInChI=1S/C20H25NO3.ClH/c1-3-15(20(24)17-9-11-18(22)12-10-17)13-21-14(2)19(23)16-7-5-4-6-8-16;/h4-12,14-15,19,21-23H,3,13H2,1-2H3;1H
InChIKeyJNMUZCWDPJMWFK-UHFFFAOYSA-N
MW363.89 g/mol
LogP-0.71
Rot. Bonds8

About 2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride

2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride (PubChem CID 110174249) has the molecular formula C20H26ClNO3 and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride.

Molecular Properties

Compound Name2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
PubChem CID110174249
Molecular FormulaC20H26ClNO3
Molecular Weight363.89 g/mol
Exact Mass363.16
IUPAC Name2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
SMILESCCC(C[NH2+]C(C)C(O)c1ccccc1)C(=O)c1ccc(O)cc1.[Cl-]
InChIInChI=1S/C20H25NO3.ClH/c1-3-15(20(24)17-9-11-18(22)12-10-17)13-21-14(2)19(23)16-7-5-4-6-8-16;/h4-12,14-15,19,21-23H,3,13H2,1-2H3;1H
InChIKeyJNMUZCWDPJMWFK-UHFFFAOYSA-N
XLogP-0.71
TPSA74.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
(1-hydroxy-1-phenylpropan-2-yl)-(2-methyl-3-oxo-3-thiophen-2-ylpropyl)azanium chloride
CID 110177289
[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride
CID 110184055
[3-(4-bromophenyl)-3-oxopropyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110175523
1-(4-ethylphenyl)-2-phenylpropan-1-one
CID 14686087
2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110174078
(2R)-1-(4-chlorophenyl)-2-phenylpropan-1-one
CID 86308998
(1-hydroxy-1-phenylpropan-2-yl)-[(E)-2-methyl-3-phenyl-3-thiophen-3-ylprop-2-enyl]azanium chloride
CID 110177919
2-cyanoethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110178076
(2S)-2-bromo-1-(4-hydroxyphenyl)-2-phenylethanone
CID 129405100
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-prop-2-ynylazanium
CID 7331312
3-benzoyloxypropyl-(1-hydroxy-1-phenylpropan-2-yl)azanium;2-hydroxy-2-oxoacetate
CID 110184860

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride?
The IUPAC name of 2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride (CID 110174249) is 2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride.
What is the SMILES notation for 2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride?
The canonical SMILES for 2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride is CCC(C[NH2+]C(C)C(O)c1ccccc1)C(=O)c1ccc(O)cc1.[Cl-].
What is the InChIKey of 2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride?
The InChIKey is JNMUZCWDPJMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3.ClH/c1-3-15(20(24)17-9-11-18(22)12-10-17)13-21-14(2)19(23)16-7-5-4-6-8-16;/h4-12,14-15,19,21-23H,3,13H2,1-2H3;1H.
What are the key properties of 2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride?
2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride has a molecular weight of 363.89 g/mol, XLogP of -0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybenzoyl)butyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride is sourced from PubChem (CID 110174249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).