1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene

C16H23ClO — CID 140987029

IUPAC1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene
SMILESCC(C)(C)c1ccc(OC2CCCCC2Cl)cc1
InChIInChI=1S/C16H23ClO/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15H,4-7H2,1-3H3
InChIKeyXLWMMYNZEXEVHP-UHFFFAOYSA-N
MW266.81 g/mol
LogP4.91
Rot. Bonds2

About 1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene

1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene (PubChem CID 140987029) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene.

Molecular Properties

Compound Name1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene
PubChem CID140987029
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene
SMILESCC(C)(C)c1ccc(OC2CCCCC2Cl)cc1
InChIInChI=1S/C16H23ClO/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15H,4-7H2,1-3H3
InChIKeyXLWMMYNZEXEVHP-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene?
The IUPAC name of 1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene (CID 140987029) is 1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene.
What is the SMILES notation for 1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene?
The canonical SMILES for 1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene is CC(C)(C)c1ccc(OC2CCCCC2Cl)cc1.
What is the InChIKey of 1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene?
The InChIKey is XLWMMYNZEXEVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene?
1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene has a molecular weight of 266.81 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene is sourced from PubChem (CID 140987029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).