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

C19H26ClNO3 — CID 110174260

IUPAC[3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
SMILESCOc1ccc(C(O)CC[NH2+]C(C)C(O)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C19H25NO3.ClH/c1-14(19(22)16-6-4-3-5-7-16)20-13-12-18(21)15-8-10-17(23-2)11-9-15;/h3-11,14,18-22H,12-13H2,1-2H3;1H
InChIKeyLHUUKKGHJWEDEV-UHFFFAOYSA-N
MW351.87 g/mol
LogP-1.19
Rot. Bonds8

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

[3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride (PubChem CID 110174260) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is [3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride.

Molecular Properties

Compound Name[3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
PubChem CID110174260
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name[3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
SMILESCOc1ccc(C(O)CC[NH2+]C(C)C(O)c2ccccc2)cc1.[Cl-]
InChIInChI=1S/C19H25NO3.ClH/c1-14(19(22)16-6-4-3-5-7-16)20-13-12-18(21)15-8-10-17(23-2)11-9-15;/h3-11,14,18-22H,12-13H2,1-2H3;1H
InChIKeyLHUUKKGHJWEDEV-UHFFFAOYSA-N
XLogP-1.19
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 ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
CID 110174261
2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110174078
(2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311637
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
2-cyanoethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110178076
(E)-5-(4-methoxyphenyl)-1-phenylpent-4-en-1-ol
CID 22559360
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanol
CID 60766376
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride
CID 110184055
1-(4-methoxyphenyl)-3-propan-2-yloxypropan-1-ol
CID 115001584
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride?
The IUPAC name of [3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride (CID 110174260) is [3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride.
What is the SMILES notation for [3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride?
The canonical SMILES for [3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride is COc1ccc(C(O)CC[NH2+]C(C)C(O)c2ccccc2)cc1.[Cl-].
What is the InChIKey of [3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride?
The InChIKey is LHUUKKGHJWEDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3.ClH/c1-14(19(22)16-6-4-3-5-7-16)20-13-12-18(21)15-8-10-17(23-2)11-9-15;/h3-11,14,18-22H,12-13H2,1-2H3;1H.
What are the key properties of [3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride?
[3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride has a molecular weight of 351.87 g/mol, XLogP of -1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(4-methoxyphenyl)propyl]-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride is sourced from PubChem (CID 110174260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).