2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone

C24H32O3 — CID 18387007

IUPAC2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone
SMILESCC(OCC(=O)c1ccc2ccccc2c1)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C24H32O3/c1-17(27-22-13-11-21(12-14-22)24(2,3)4)26-16-23(25)20-10-9-18-7-5-6-8-19(18)15-20/h5-10,15,17,21-22H,11-14,16H2,1-4H3
InChIKeyMAFDNQQURCEXAU-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.01
Rot. Bonds6

About 2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone

2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone (PubChem CID 18387007) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone
PubChem CID18387007
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone
SMILESCC(OCC(=O)c1ccc2ccccc2c1)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C24H32O3/c1-17(27-22-13-11-21(12-14-22)24(2,3)4)26-16-23(25)20-10-9-18-7-5-6-8-19(18)15-20/h5-10,15,17,21-22H,11-14,16H2,1-4H3
InChIKeyMAFDNQQURCEXAU-UHFFFAOYSA-N
XLogP6.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone?
The IUPAC name of 2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone (CID 18387007) is 2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone is CC(OCC(=O)c1ccc2ccccc2c1)OC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone?
The InChIKey is MAFDNQQURCEXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3/c1-17(27-22-13-11-21(12-14-22)24(2,3)4)26-16-23(25)20-10-9-18-7-5-6-8-19(18)15-20/h5-10,15,17,21-22H,11-14,16H2,1-4H3.
What are the key properties of 2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone?
2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone has a molecular weight of 368.52 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylcyclohexyl)oxyethoxy]-1-naphthalen-2-ylethanone is sourced from PubChem (CID 18387007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).