8-phenyl-5-azoniaspiro[4.5]decan-8-ol

C15H22NO+ — CID 15837498

IUPAC8-phenyl-5-azoniaspiro[4.5]decan-8-ol
SMILESOC1(c2ccccc2)CC[N+]2(CCCC2)CC1
InChIInChI=1S/C15H22NO/c17-15(14-6-2-1-3-7-14)8-12-16(13-9-15)10-4-5-11-16/h1-3,6-7,17H,4-5,8-13H2/q+1
InChIKeyHPHCVDMJTJIHQC-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.28
Rot. Bonds1

About 8-phenyl-5-azoniaspiro[4.5]decan-8-ol

8-phenyl-5-azoniaspiro[4.5]decan-8-ol (PubChem CID 15837498) has the molecular formula C15H22NO+ and a molecular weight of 232.35 g/mol. Its IUPAC name is 8-phenyl-5-azoniaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-phenyl-5-azoniaspiro[4.5]decan-8-ol
PubChem CID15837498
Molecular FormulaC15H22NO+
Molecular Weight232.35 g/mol
Exact Mass232.17
IUPAC Name8-phenyl-5-azoniaspiro[4.5]decan-8-ol
SMILESOC1(c2ccccc2)CC[N+]2(CCCC2)CC1
InChIInChI=1S/C15H22NO/c17-15(14-6-2-1-3-7-14)8-12-16(13-9-15)10-4-5-11-16/h1-3,6-7,17H,4-5,8-13H2/q+1
InChIKeyHPHCVDMJTJIHQC-UHFFFAOYSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-phenyl-5-azoniaspiro[4.5]decan-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;1-phenylcyclobutan-1-ol
CID 175547532
copper;1-phenylcyclohexan-1-ol
CID 174727157
ethane;1-phenylcyclohexan-1-ol
CID 144640846
4-amino-1-phenylcyclohexan-1-ol
CID 3039766
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
ethane;4-hydroxy-4-phenylcyclohexan-1-one
CID 91155635
1-(3-phenylphenyl)cyclobutan-1-ol
CID 174781910
4-hydroxy-4-phenylcyclohexane-1-carboxylic acid
CID 58909501
(3R)-3-phenylthian-3-ol
CID 124510207
acetic acid;guanidine;1-phenylcyclohexan-1-ol
CID 174473231
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 91262908
cis-(1S,3S)-1-phenylcyclohexane-1,3-diol
CID 130757537

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-5-azoniaspiro[4.5]decan-8-ol?
The IUPAC name of 8-phenyl-5-azoniaspiro[4.5]decan-8-ol (CID 15837498) is 8-phenyl-5-azoniaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-phenyl-5-azoniaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-phenyl-5-azoniaspiro[4.5]decan-8-ol is OC1(c2ccccc2)CC[N+]2(CCCC2)CC1.
What is the InChIKey of 8-phenyl-5-azoniaspiro[4.5]decan-8-ol?
The InChIKey is HPHCVDMJTJIHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO/c17-15(14-6-2-1-3-7-14)8-12-16(13-9-15)10-4-5-11-16/h1-3,6-7,17H,4-5,8-13H2/q+1.
What are the key properties of 8-phenyl-5-azoniaspiro[4.5]decan-8-ol?
8-phenyl-5-azoniaspiro[4.5]decan-8-ol has a molecular weight of 232.35 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-5-azoniaspiro[4.5]decan-8-ol is sourced from PubChem (CID 15837498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).