2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene

C18H27ClO — CID 63459706

IUPAC2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene
SMILESCC(C)(C)C1CCC(Cl)C(CCOc2ccccc2)C1
InChIInChI=1S/C18H27ClO/c1-18(2,3)15-9-10-17(19)14(13-15)11-12-20-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3
InChIKeyHXYIREWSXFINQO-UHFFFAOYSA-N
MW294.87 g/mol
LogP5.53
Rot. Bonds4

About 2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene

2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene (PubChem CID 63459706) has the molecular formula C18H27ClO and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene.

Molecular Properties

Compound Name2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene
PubChem CID63459706
Molecular FormulaC18H27ClO
Molecular Weight294.87 g/mol
Exact Mass294.18
IUPAC Name2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene
SMILESCC(C)(C)C1CCC(Cl)C(CCOc2ccccc2)C1
InChIInChI=1S/C18H27ClO/c1-18(2,3)15-9-10-17(19)14(13-15)11-12-20-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3
InChIKeyHXYIREWSXFINQO-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.87
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-5-propan-2-ylcyclohexyl)propoxybenzene
CID 63471491
4-tert-butyl-2-(2-phenoxyethoxy)cyclohexan-1-amine
CID 43100600
1-bromo-2-[(5-tert-butyl-2-chlorocyclohexyl)methyl]benzene
CID 63459518
3-chloro-4-(2-phenoxyethyl)thiolane
CID 83191550
3-(2-chlorocyclopentyl)propoxybenzene
CID 63461824
1-bromo-4-[2-(2-chloro-5-propan-2-ylcyclohexyl)ethoxy]benzene
CID 63472442
(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 134851206
4-tert-butyl-N-(2-phenoxyethyl)cycloheptan-1-amine
CID 65089931
1-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-4-fluorobenzene
CID 63459697
3-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-2,3-dihydro-1-benzothiophene
CID 79214670
2-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 66364994
1-bromo-3-[(5-tert-butyl-2-chlorocyclohexyl)methyl]benzene
CID 63459699

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene?
The IUPAC name of 2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene (CID 63459706) is 2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene.
What is the SMILES notation for 2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene?
The canonical SMILES for 2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene is CC(C)(C)C1CCC(Cl)C(CCOc2ccccc2)C1.
What is the InChIKey of 2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene?
The InChIKey is HXYIREWSXFINQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClO/c1-18(2,3)15-9-10-17(19)14(13-15)11-12-20-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3.
What are the key properties of 2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene?
2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene has a molecular weight of 294.87 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-chlorocyclohexyl)ethoxybenzene is sourced from PubChem (CID 63459706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).