[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride

C19H26ClNO3 — CID 110185130

IUPAC[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride
SMILESCOc1cccc(CCC[NH2+]C(C)C(O)c2ccc(O)cc2)c1.[Cl-]
InChIInChI=1S/C19H25NO3.ClH/c1-14(19(22)16-8-10-17(21)11-9-16)20-12-4-6-15-5-3-7-18(13-15)23-2;/h3,5,7-11,13-14,19-22H,4,6,12H2,1-2H3;1H
InChIKeyFQDLDJMEUUCIFL-UHFFFAOYSA-N
MW351.87 g/mol
LogP-0.98
Rot. Bonds8

About [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride

[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride (PubChem CID 110185130) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride.

Molecular Properties

Compound Name[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride
PubChem CID110185130
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride
SMILESCOc1cccc(CCC[NH2+]C(C)C(O)c2ccc(O)cc2)c1.[Cl-]
InChIInChI=1S/C19H25NO3.ClH/c1-14(19(22)16-8-10-17(21)11-9-16)20-12-4-6-15-5-3-7-18(13-15)23-2;/h3,5,7-11,13-14,19-22H,4,6,12H2,1-2H3;1H
InChIKeyFQDLDJMEUUCIFL-UHFFFAOYSA-N
XLogP-0.98
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride
CID 110185098
3-(3,4-dimethoxyphenyl)propyl-[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]azanium chloride
CID 110185116
[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]-[3-(4-methylphenyl)propyl]azanium chloride
CID 110185128
3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride
CID 110184914
[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-hydroxy-5-methoxyphenyl)-3-oxopropyl]azanium chloride
CID 110175834
2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 110185097
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153
[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7311571
2-[10-(3-methoxyphenyl)decyl]phenol
CID 134285067
3-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
CID 68746281
1-methoxy-3-nonadecylbenzene
CID 154507578
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride?
The IUPAC name of [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride (CID 110185130) is [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride.
What is the SMILES notation for [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride?
The canonical SMILES for [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride is COc1cccc(CCC[NH2+]C(C)C(O)c2ccc(O)cc2)c1.[Cl-].
What is the InChIKey of [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride?
The InChIKey is FQDLDJMEUUCIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3.ClH/c1-14(19(22)16-8-10-17(21)11-9-16)20-12-4-6-15-5-3-7-18(13-15)23-2;/h3,5,7-11,13-14,19-22H,4,6,12H2,1-2H3;1H.
What are the key properties of [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride?
[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride has a molecular weight of 351.87 g/mol, XLogP of -0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride is sourced from PubChem (CID 110185130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).