5-(2-methylphenyl)-1-oxaspiro[3.5]nonane

C15H20O — CID 156803422

IUPAC5-(2-methylphenyl)-1-oxaspiro[3.5]nonane
SMILESCc1ccccc1C1CCCCC12CCO2
InChIInChI=1S/C15H20O/c1-12-6-2-3-7-13(12)14-8-4-5-9-15(14)10-11-16-15/h2-3,6-7,14H,4-5,8-11H2,1H3
InChIKeyZIRYALZDDVLFEH-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.81
Rot. Bonds1

About 5-(2-methylphenyl)-1-oxaspiro[3.5]nonane

5-(2-methylphenyl)-1-oxaspiro[3.5]nonane (PubChem CID 156803422) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-(2-methylphenyl)-1-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name5-(2-methylphenyl)-1-oxaspiro[3.5]nonane
PubChem CID156803422
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name5-(2-methylphenyl)-1-oxaspiro[3.5]nonane
SMILESCc1ccccc1C1CCCCC12CCO2
InChIInChI=1S/C15H20O/c1-12-6-2-3-7-13(12)14-8-4-5-9-15(14)10-11-16-15/h2-3,6-7,14H,4-5,8-11H2,1H3
InChIKeyZIRYALZDDVLFEH-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(2-methylphenyl)-1-oxaspiro[3.5]nonane 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

1-amino-2-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 171740724
11-phenyl-1-oxa-4-azaspiro[5.5]undecane
CID 105403743
trans-(1R,2S)-N,N-dimethyl-2-(2-methylphenyl)cyclohexan-1-amine
CID 97356100
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
[1,2-bis(2,6-dimethylphenyl)cyclohexyl]phosphane
CID 146499962
8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene
CID 54289417
1-cyclopropyl-2-(2-methylphenyl)cyclopropan-1-amine
CID 84661105
1-cyclopentyl-2-methylbenzene;isocyanic acid
CID 88641039
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
5-propan-2-yl-1-oxaspiro[3.5]nonane
CID 118613178
2-[(1S)-2,2-dimethylcyclohexyl]aniline
CID 125449178
2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
CID 102201716

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-1-oxaspiro[3.5]nonane?
The IUPAC name of 5-(2-methylphenyl)-1-oxaspiro[3.5]nonane (CID 156803422) is 5-(2-methylphenyl)-1-oxaspiro[3.5]nonane.
What is the SMILES notation for 5-(2-methylphenyl)-1-oxaspiro[3.5]nonane?
The canonical SMILES for 5-(2-methylphenyl)-1-oxaspiro[3.5]nonane is Cc1ccccc1C1CCCCC12CCO2.
What is the InChIKey of 5-(2-methylphenyl)-1-oxaspiro[3.5]nonane?
The InChIKey is ZIRYALZDDVLFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-12-6-2-3-7-13(12)14-8-4-5-9-15(14)10-11-16-15/h2-3,6-7,14H,4-5,8-11H2,1H3.
What are the key properties of 5-(2-methylphenyl)-1-oxaspiro[3.5]nonane?
5-(2-methylphenyl)-1-oxaspiro[3.5]nonane has a molecular weight of 216.32 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-1-oxaspiro[3.5]nonane is sourced from PubChem (CID 156803422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).