1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene

C22H33ClO2 — CID 169434614

IUPAC1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene
SMILESCC(C)(C)c1ccc(OC2CCCCC2OC2CCCCC2Cl)cc1
InChIInChI=1S/C22H33ClO2/c1-22(2,3)16-12-14-17(15-13-16)24-20-10-6-7-11-21(20)25-19-9-5-4-8-18(19)23/h12-15,18-21H,4-11H2,1-3H3
InChIKeyFQCZTHCOSRVRPW-UHFFFAOYSA-N
MW364.96 g/mol
LogP6.24
Rot. Bonds4

About 1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene

1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene (PubChem CID 169434614) has the molecular formula C22H33ClO2 and a molecular weight of 364.96 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene
PubChem CID169434614
Molecular FormulaC22H33ClO2
Molecular Weight364.96 g/mol
Exact Mass364.22
IUPAC Name1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene
SMILESCC(C)(C)c1ccc(OC2CCCCC2OC2CCCCC2Cl)cc1
InChIInChI=1S/C22H33ClO2/c1-22(2,3)16-12-14-17(15-13-16)24-20-10-6-7-11-21(20)25-19-9-5-4-8-18(19)23/h12-15,18-21H,4-11H2,1-3H3
InChIKeyFQCZTHCOSRVRPW-UHFFFAOYSA-N
XLogP6.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.96
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-(2-chlorocyclohexyl)oxybenzene
CID 140987029
1-tert-butyl-4-cyclohexyloxybenzene
CID 10466491
1-(2-chlorocyclohexyl)oxy-4-nitrobenzene
CID 70179817
bis[3-[2-(4-tert-butylphenoxy)cyclohexyl]prop-2-enyl] sulfite
CID 173047036
1-(4-tert-butylphenoxy)-3-chlorospiro[3.5]nonane
CID 66345050
[2-[4-(2-methylbutan-2-yl)phenoxy]cyclohexyl]methanamine
CID 43293934
3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine
CID 66358515
1-tert-butyl-4-[(2-chlorocyclohexyl)methyl]benzene
CID 63461490
bis[2-(4-methoxyphenoxy)cyclohexyl] sulfite
CID 175228678
2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63472714
2-[4-(2-methylbutan-2-yl)phenoxy]cyclopentan-1-amine
CID 43100661
[2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate
CID 173266514

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene?
The IUPAC name of 1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene (CID 169434614) is 1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene.
What is the SMILES notation for 1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene?
The canonical SMILES for 1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene is CC(C)(C)c1ccc(OC2CCCCC2OC2CCCCC2Cl)cc1.
What is the InChIKey of 1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene?
The InChIKey is FQCZTHCOSRVRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClO2/c1-22(2,3)16-12-14-17(15-13-16)24-20-10-6-7-11-21(20)25-19-9-5-4-8-18(19)23/h12-15,18-21H,4-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene?
1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene has a molecular weight of 364.96 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(2-chlorocyclohexyl)oxycyclohexyl]oxybenzene is sourced from PubChem (CID 169434614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).