benzhydryl(trimethyl)azanium hydroxide

C16H21NO — CID 87510779

IUPACbenzhydryl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)C(c1ccccc1)c1ccccc1.[OH-]
InChIInChI=1S/C16H20N.H2O/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;/h4-13,16H,1-3H3;1H2/q+1;/p-1
InChIKeyPKCUXRCKJVIKKP-UHFFFAOYSA-M
MW243.35 g/mol
LogP3.31
Rot. Bonds3

About benzhydryl(trimethyl)azanium hydroxide

benzhydryl(trimethyl)azanium hydroxide (PubChem CID 87510779) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is benzhydryl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Namebenzhydryl(trimethyl)azanium hydroxide
PubChem CID87510779
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Namebenzhydryl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)C(c1ccccc1)c1ccccc1.[OH-]
InChIInChI=1S/C16H20N.H2O/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;/h4-13,16H,1-3H3;1H2/q+1;/p-1
InChIKeyPKCUXRCKJVIKKP-UHFFFAOYSA-M
XLogP3.31
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzhydryl(trimethyl)azanium hydroxide?
The IUPAC name of benzhydryl(trimethyl)azanium hydroxide (CID 87510779) is benzhydryl(trimethyl)azanium hydroxide.
What is the SMILES notation for benzhydryl(trimethyl)azanium hydroxide?
The canonical SMILES for benzhydryl(trimethyl)azanium hydroxide is C[N+](C)(C)C(c1ccccc1)c1ccccc1.[OH-].
What is the InChIKey of benzhydryl(trimethyl)azanium hydroxide?
The InChIKey is PKCUXRCKJVIKKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H20N.H2O/c1-17(2,3)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15;/h4-13,16H,1-3H3;1H2/q+1;/p-1.
What are the key properties of benzhydryl(trimethyl)azanium hydroxide?
benzhydryl(trimethyl)azanium hydroxide has a molecular weight of 243.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl(trimethyl)azanium hydroxide is sourced from PubChem (CID 87510779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).