1-(chloromethyl)-3-cyclohexyloxynaphthalene

C17H19ClO — CID 146459949

IUPAC1-(chloromethyl)-3-cyclohexyloxynaphthalene
SMILESClCc1cc(OC2CCCCC2)cc2ccccc12
InChIInChI=1S/C17H19ClO/c18-12-14-11-16(19-15-7-2-1-3-8-15)10-13-6-4-5-9-17(13)14/h4-6,9-11,15H,1-3,7-8,12H2
InChIKeyMFBIOFGSDAMGPL-UHFFFAOYSA-N
MW274.79 g/mol
LogP5.29
Rot. Bonds3

About 1-(chloromethyl)-3-cyclohexyloxynaphthalene

1-(chloromethyl)-3-cyclohexyloxynaphthalene (PubChem CID 146459949) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-(chloromethyl)-3-cyclohexyloxynaphthalene.

Molecular Properties

Compound Name1-(chloromethyl)-3-cyclohexyloxynaphthalene
PubChem CID146459949
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-(chloromethyl)-3-cyclohexyloxynaphthalene
SMILESClCc1cc(OC2CCCCC2)cc2ccccc12
InChIInChI=1S/C17H19ClO/c18-12-14-11-16(19-15-7-2-1-3-8-15)10-13-6-4-5-9-17(13)14/h4-6,9-11,15H,1-3,7-8,12H2
InChIKeyMFBIOFGSDAMGPL-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.79
LogP ≤ 55.29
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

9-cyclohexyloxyanthracene
CID 139783427
(1-cyclohexyloxyisoquinolin-3-yl)methanamine
CID 62290253
1-(2-cyclohexyloxynaphthalen-1-yl)-2-(methoxymethyl)naphthalene
CID 141152735
[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
CID 82927927
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
1-(chloromethyl)anthracene
CID 18004230
1-(1-cyclohexyloxyisoquinolin-3-yl)-N-methylmethanamine
CID 62292060
[4-(2-cyclohexyl-2-oxoethyl)naphthalen-2-yl] acetate
CID 102587453
1-cyclohexyloxy-2-propan-2-ylisoquinolin-2-ium
CID 155615242
1-(cyclononylmethyl)anthracene
CID 173272600
(1-cyclobutyloxyisoquinolin-3-yl)methanamine
CID 62286989
(2-cyclohexyloxynaphthalen-1-yl)methanol
CID 43505781

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-cyclohexyloxynaphthalene?
The IUPAC name of 1-(chloromethyl)-3-cyclohexyloxynaphthalene (CID 146459949) is 1-(chloromethyl)-3-cyclohexyloxynaphthalene.
What is the SMILES notation for 1-(chloromethyl)-3-cyclohexyloxynaphthalene?
The canonical SMILES for 1-(chloromethyl)-3-cyclohexyloxynaphthalene is ClCc1cc(OC2CCCCC2)cc2ccccc12.
What is the InChIKey of 1-(chloromethyl)-3-cyclohexyloxynaphthalene?
The InChIKey is MFBIOFGSDAMGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c18-12-14-11-16(19-15-7-2-1-3-8-15)10-13-6-4-5-9-17(13)14/h4-6,9-11,15H,1-3,7-8,12H2.
What are the key properties of 1-(chloromethyl)-3-cyclohexyloxynaphthalene?
1-(chloromethyl)-3-cyclohexyloxynaphthalene has a molecular weight of 274.79 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-cyclohexyloxynaphthalene is sourced from PubChem (CID 146459949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).