7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane

C15H17ClO — CID 86653816

IUPAC7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane
SMILESClc1cccc(CC2CCC3(CC3)C23CO3)c1
InChIInChI=1S/C15H17ClO/c16-13-3-1-2-11(9-13)8-12-4-5-14(6-7-14)15(12)10-17-15/h1-3,9,12H,4-8,10H2
InChIKeyAAIXGUYRUTYQNW-UHFFFAOYSA-N
MW248.75 g/mol
LogP3.84
Rot. Bonds2

About 7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane

7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane (PubChem CID 86653816) has the molecular formula C15H17ClO and a molecular weight of 248.75 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane.

Molecular Properties

Compound Name7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane
PubChem CID86653816
Molecular FormulaC15H17ClO
Molecular Weight248.75 g/mol
Exact Mass248.10
IUPAC Name7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane
SMILESClc1cccc(CC2CCC3(CC3)C23CO3)c1
InChIInChI=1S/C15H17ClO/c16-13-3-1-2-11(9-13)8-12-4-5-14(6-7-14)15(12)10-17-15/h1-3,9,12H,4-8,10H2
InChIKeyAAIXGUYRUTYQNW-UHFFFAOYSA-N
XLogP3.84
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chlorophenyl)methyl]-2,2-dimethylpyrrolidine
CID 83823135
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidin-1-ium
CID 7022801
3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 142422934
3-[(3-chlorophenyl)methyl]oxetane
CID 129453186
4-[(3-chlorophenyl)methyl]-3,3-difluoropiperidine
CID 84705382
N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120158
1-[(3-chlorophenyl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 65376639
1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 65392356
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
1-[(2-bromocyclohexyl)methyl]-3-chlorobenzene
CID 63471819
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
4-(chloromethyl)-4-[(3-chlorophenyl)methyl]oxane
CID 66033526

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane?
The IUPAC name of 7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane (CID 86653816) is 7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane.
What is the SMILES notation for 7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane?
The canonical SMILES for 7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane is Clc1cccc(CC2CCC3(CC3)C23CO3)c1.
What is the InChIKey of 7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane?
The InChIKey is AAIXGUYRUTYQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO/c16-13-3-1-2-11(9-13)8-12-4-5-14(6-7-14)15(12)10-17-15/h1-3,9,12H,4-8,10H2.
What are the key properties of 7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane?
7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane has a molecular weight of 248.75 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)methyl]-5-oxadispiro[2.0.24.33]nonane is sourced from PubChem (CID 86653816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).