2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane

C17H22O — CID 71123872

IUPAC2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane
SMILESCOC12CC3CC(CC1C3)C2Cc1ccccc1
InChIInChI=1S/C17H22O/c1-18-17-11-13-7-14(10-15(17)8-13)16(17)9-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3
InChIKeyIRFSAFVXEPGGEI-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.68
Rot. Bonds3

About 2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane

2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane (PubChem CID 71123872) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane.

Molecular Properties

Compound Name2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane
PubChem CID71123872
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane
SMILESCOC12CC3CC(CC1C3)C2Cc1ccccc1
InChIInChI=1S/C17H22O/c1-18-17-11-13-7-14(10-15(17)8-13)16(17)9-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3
InChIKeyIRFSAFVXEPGGEI-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-benzyl-3-methoxytricyclo[3.3.1.03,7]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

2-benzyl-3-(chloromethoxy)tricyclo[3.3.1.03,7]nonane
CID 59686907
1-benzyl-2-methoxyadamantane
CID 133064939
2-methoxy-1-phenyladamantane
CID 133063988
(1S,2R,3S,5S,7S)-2-benzyl-5-chloroadamantan-1-ol
CID 175917829
1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
CID 59686926
[(1S,2R)-2-methoxycyclopropyl]methylbenzene
CID 100914167
N-benzyl-2,2-dimethyladamantan-1-amine
CID 71452180
methyl (2Z)-2-(1-adamantyl)-2-phenylmethoxyiminoacetate
CID 15505129
(1S,4S)-2,5-dibenzylbicyclo[2.2.1]heptane
CID 101446934
1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
CID 59686917
6-benzylspiro[3.3]heptan-2-amine
CID 164574209
(2R)-2-benzyl-1-methylaziridine
CID 87174257

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane?
The IUPAC name of 2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane (CID 71123872) is 2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane.
What is the SMILES notation for 2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane?
The canonical SMILES for 2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane is COC12CC3CC(CC1C3)C2Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane?
The InChIKey is IRFSAFVXEPGGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-18-17-11-13-7-14(10-15(17)8-13)16(17)9-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3.
What are the key properties of 2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane?
2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane has a molecular weight of 242.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane is sourced from PubChem (CID 71123872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).