1-(4-hydroxyphenyl)propyl-trimethylazanium

C12H20NO+ — CID 3026627

IUPAC1-(4-hydroxyphenyl)propyl-trimethylazanium
SMILESCCC(c1ccc(O)cc1)[N+](C)(C)C
InChIInChI=1S/C12H19NO/c1-5-12(13(2,3)4)10-6-8-11(14)9-7-10/h6-9,12H,5H2,1-4H3/p+1
InChIKeyXXSYYZSSGQFMIU-UHFFFAOYSA-O
MW194.30 g/mol
LogP2.55
Rot. Bonds3

About 1-(4-hydroxyphenyl)propyl-trimethylazanium

1-(4-hydroxyphenyl)propyl-trimethylazanium (PubChem CID 3026627) has the molecular formula C12H20NO+ and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)propyl-trimethylazanium.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)propyl-trimethylazanium
PubChem CID3026627
Molecular FormulaC12H20NO+
Molecular Weight194.30 g/mol
Exact Mass194.15
IUPAC Name1-(4-hydroxyphenyl)propyl-trimethylazanium
SMILESCCC(c1ccc(O)cc1)[N+](C)(C)C
InChIInChI=1S/C12H19NO/c1-5-12(13(2,3)4)10-6-8-11(14)9-7-10/h6-9,12H,5H2,1-4H3/p+1
InChIKeyXXSYYZSSGQFMIU-UHFFFAOYSA-O
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyphenyl)propyl-trimethylazanium iodide
CID 3026624
4-[(3S)-4-hydroxyhexan-3-yl]phenol
CID 175488649
4-(4-methylhexan-3-yl)phenol
CID 123259382
4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 12962984
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
CID 174905836
4-[2,2,3,4,5,5-hexadeuterio-4-(4-hydroxyphenyl)hexan-3-yl]phenol
CID 162642036
4-[1-(piperidin-1-ylamino)propyl]phenol
CID 83006476
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[(4-butan-2-ylphenyl)methyl]phenol
CID 170030483
4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 160569635
4-[bis(ethylsulfanyl)methyl]phenol
CID 11436127

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)propyl-trimethylazanium?
The IUPAC name of 1-(4-hydroxyphenyl)propyl-trimethylazanium (CID 3026627) is 1-(4-hydroxyphenyl)propyl-trimethylazanium.
What is the SMILES notation for 1-(4-hydroxyphenyl)propyl-trimethylazanium?
The canonical SMILES for 1-(4-hydroxyphenyl)propyl-trimethylazanium is CCC(c1ccc(O)cc1)[N+](C)(C)C.
What is the InChIKey of 1-(4-hydroxyphenyl)propyl-trimethylazanium?
The InChIKey is XXSYYZSSGQFMIU-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19NO/c1-5-12(13(2,3)4)10-6-8-11(14)9-7-10/h6-9,12H,5H2,1-4H3/p+1.
What are the key properties of 1-(4-hydroxyphenyl)propyl-trimethylazanium?
1-(4-hydroxyphenyl)propyl-trimethylazanium has a molecular weight of 194.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)propyl-trimethylazanium is sourced from PubChem (CID 3026627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).