1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene

C19H21ClO — CID 66345484

IUPAC1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene
SMILESClC1CC(Oc2cccc3ccccc23)C12CCCCC2
InChIInChI=1S/C19H21ClO/c20-17-13-18(19(17)11-4-1-5-12-19)21-16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17-18H,1,4-5,11-13H2
InChIKeyKOIUSRMGPKVEIS-UHFFFAOYSA-N
MW300.83 g/mol
LogP5.55
Rot. Bonds2

About 1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene

1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene (PubChem CID 66345484) has the molecular formula C19H21ClO and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene.

Molecular Properties

Compound Name1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene
PubChem CID66345484
Molecular FormulaC19H21ClO
Molecular Weight300.83 g/mol
Exact Mass300.13
IUPAC Name1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene
SMILESClC1CC(Oc2cccc3ccccc23)C12CCCCC2
InChIInChI=1S/C19H21ClO/c20-17-13-18(19(17)11-4-1-5-12-19)21-16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17-18H,1,4-5,11-13H2
InChIKeyKOIUSRMGPKVEIS-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.83
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene
CID 66345692
3-chloro-1-(2-ethylphenoxy)spiro[3.6]decane
CID 66343872
5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline
CID 103046070
3-chloro-1-(2-ethylphenoxy)spiro[3.4]octane
CID 66344289
8-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline
CID 66344472
3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane
CID 107662297
3-chloro-1-(2,6-dibromophenoxy)spiro[3.4]octane
CID 66345711
3-chloro-1-(2-chloro-4-fluorophenoxy)spiro[3.6]decane
CID 66345162
3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane
CID 66346319
3-chloro-1-(3-chlorophenoxy)spiro[3.5]nonane
CID 66344419
3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline
CID 107388327
3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane
CID 66346019

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene?
The IUPAC name of 1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene (CID 66345484) is 1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene.
What is the SMILES notation for 1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene?
The canonical SMILES for 1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene is ClC1CC(Oc2cccc3ccccc23)C12CCCCC2.
What is the InChIKey of 1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene?
The InChIKey is KOIUSRMGPKVEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO/c20-17-13-18(19(17)11-4-1-5-12-19)21-16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17-18H,1,4-5,11-13H2.
What are the key properties of 1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene?
1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene has a molecular weight of 300.83 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorospiro[3.5]nonan-1-yl)oxynaphthalene is sourced from PubChem (CID 66345484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).