(3-hydroxy-4-phenylbutyl)azanium chloride

C10H16ClNO — CID 141211751

IUPAC(3-hydroxy-4-phenylbutyl)azanium chloride
SMILES[Cl-].[NH3+]CCC(O)Cc1ccccc1
InChIInChI=1S/C10H15NO.ClH/c11-7-6-10(12)8-9-4-2-1-3-5-9;/h1-5,10,12H,6-8,11H2;1H
InChIKeyZYQNMDSCVXBODS-UHFFFAOYSA-N
MW201.70 g/mol
LogP-2.77
Rot. Bonds4

About (3-hydroxy-4-phenylbutyl)azanium chloride

(3-hydroxy-4-phenylbutyl)azanium chloride (PubChem CID 141211751) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is (3-hydroxy-4-phenylbutyl)azanium chloride.

Molecular Properties

Compound Name(3-hydroxy-4-phenylbutyl)azanium chloride
PubChem CID141211751
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name(3-hydroxy-4-phenylbutyl)azanium chloride
SMILES[Cl-].[NH3+]CCC(O)Cc1ccccc1
InChIInChI=1S/C10H15NO.ClH/c11-7-6-10(12)8-9-4-2-1-3-5-9;/h1-5,10,12H,6-8,11H2;1H
InChIKeyZYQNMDSCVXBODS-UHFFFAOYSA-N
XLogP-2.77
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 5-2.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,6-diphenylhexane-2,5-diol
CID 15072586
(2S)-1-phenylhex-5-en-2-ol
CID 102339258
1,3-diphenylpropan-2-ylazanium chloride
CID 67842912
1-phenyl-4-propoxybutan-2-ol
CID 105076516
(2S,4R)-1-phenyloct-7-ene-2,4-diol
CID 102019922
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
4-(3-methylphenyl)-1-phenylbutan-2-ol
CID 63016612
1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
(3R)-3-hydroxy-4-phenylbutanal
CID 13425167
(2R)-1-phenylpent-4-en-2-ol
CID 11309688
(1R)-1,2-diphenylethanol
CID 1379022

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-phenylbutyl)azanium chloride?
The IUPAC name of (3-hydroxy-4-phenylbutyl)azanium chloride (CID 141211751) is (3-hydroxy-4-phenylbutyl)azanium chloride.
What is the SMILES notation for (3-hydroxy-4-phenylbutyl)azanium chloride?
The canonical SMILES for (3-hydroxy-4-phenylbutyl)azanium chloride is [Cl-].[NH3+]CCC(O)Cc1ccccc1.
What is the InChIKey of (3-hydroxy-4-phenylbutyl)azanium chloride?
The InChIKey is ZYQNMDSCVXBODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c11-7-6-10(12)8-9-4-2-1-3-5-9;/h1-5,10,12H,6-8,11H2;1H.
What are the key properties of (3-hydroxy-4-phenylbutyl)azanium chloride?
(3-hydroxy-4-phenylbutyl)azanium chloride has a molecular weight of 201.70 g/mol, XLogP of -2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-phenylbutyl)azanium chloride is sourced from PubChem (CID 141211751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).