1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene

C16H21Cl — CID 63512844

IUPAC1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene
SMILESClC1CCCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C16H21Cl/c17-16-8-4-7-13-9-10-14(11-15(13)16)12-5-2-1-3-6-12/h9-12,16H,1-8H2
InChIKeyLCGBTPDDOFNGIE-UHFFFAOYSA-N
MW248.80 g/mol
LogP5.35
Rot. Bonds1

About 1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene

1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 63512844) has the molecular formula C16H21Cl and a molecular weight of 248.80 g/mol. Its IUPAC name is 1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene
PubChem CID63512844
Molecular FormulaC16H21Cl
Molecular Weight248.80 g/mol
Exact Mass248.13
IUPAC Name1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene
SMILESClC1CCCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C16H21Cl/c17-16-8-4-7-13-9-10-14(11-15(13)16)12-5-2-1-3-6-12/h9-12,16H,1-8H2
InChIKeyLCGBTPDDOFNGIE-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.80
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene (CID 63512844) is 1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene is ClC1CCCc2ccc(C3CCCCC3)cc21.
What is the InChIKey of 1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LCGBTPDDOFNGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl/c17-16-8-4-7-13-9-10-14(11-15(13)16)12-5-2-1-3-6-12/h9-12,16H,1-8H2.
What are the key properties of 1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene?
1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 248.80 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63512844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).