3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane

C17H23ClO2 — CID 66344469

IUPAC3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane
SMILESCOc1ccc(COC2CC(Cl)C23CCCCC3)cc1
InChIInChI=1S/C17H23ClO2/c1-19-14-7-5-13(6-8-14)12-20-16-11-15(18)17(16)9-3-2-4-10-17/h5-8,15-16H,2-4,9-12H2,1H3
InChIKeyCHGPKXAJHNJHGA-UHFFFAOYSA-N
MW294.82 g/mol
LogP4.54
Rot. Bonds4

About 3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane

3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane (PubChem CID 66344469) has the molecular formula C17H23ClO2 and a molecular weight of 294.82 g/mol. Its IUPAC name is 3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane.

Molecular Properties

Compound Name3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane
PubChem CID66344469
Molecular FormulaC17H23ClO2
Molecular Weight294.82 g/mol
Exact Mass294.14
IUPAC Name3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane
SMILESCOc1ccc(COC2CC(Cl)C23CCCCC3)cc1
InChIInChI=1S/C17H23ClO2/c1-19-14-7-5-13(6-8-14)12-20-16-11-15(18)17(16)9-3-2-4-10-17/h5-8,15-16H,2-4,9-12H2,1H3
InChIKeyCHGPKXAJHNJHGA-UHFFFAOYSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane?
The IUPAC name of 3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane (CID 66344469) is 3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane.
What is the SMILES notation for 3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane?
The canonical SMILES for 3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane is COc1ccc(COC2CC(Cl)C23CCCCC3)cc1.
What is the InChIKey of 3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane?
The InChIKey is CHGPKXAJHNJHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO2/c1-19-14-7-5-13(6-8-14)12-20-16-11-15(18)17(16)9-3-2-4-10-17/h5-8,15-16H,2-4,9-12H2,1H3.
What are the key properties of 3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane?
3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane has a molecular weight of 294.82 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(4-methoxyphenyl)methoxy]spiro[3.5]nonane is sourced from PubChem (CID 66344469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).