2-(4-butoxyphenyl)-1-cyclohexylethanone

C18H26O2 — CID 71053379

IUPAC2-(4-butoxyphenyl)-1-cyclohexylethanone
SMILESCCCCOc1ccc(CC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H26O2/c1-2-3-13-20-17-11-9-15(10-12-17)14-18(19)16-7-5-4-6-8-16/h9-12,16H,2-8,13-14H2,1H3
InChIKeyIIOMSRAUBIQBDA-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.56
Rot. Bonds7

About 2-(4-butoxyphenyl)-1-cyclohexylethanone

2-(4-butoxyphenyl)-1-cyclohexylethanone (PubChem CID 71053379) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-1-cyclohexylethanone
PubChem CID71053379
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-(4-butoxyphenyl)-1-cyclohexylethanone
SMILESCCCCOc1ccc(CC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H26O2/c1-2-3-13-20-17-11-9-15(10-12-17)14-18(19)16-7-5-4-6-8-16/h9-12,16H,2-8,13-14H2,1H3
InChIKeyIIOMSRAUBIQBDA-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butylphenoxy)-1-cyclopentylethanone
CID 104752178
2-(4-pentylphenoxy)ethyl cyclohexanecarboxylate
CID 23271959
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
2-(4-tert-butylphenyl)-1-cycloheptylethanone
CID 65399375
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
2-(4-butylphenoxy)-1-cyclopropylethanone
CID 115492850
2-(4-pentoxyphenyl)acetate
CID 7009494
1-(4-butoxyphenyl)-3-hydroxypropan-2-one
CID 58028393
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
3-(4-tert-butylphenoxy)-1-cyclohexylpropan-1-one
CID 39390816
3-(4-butoxyphenyl)-2-oxopropan-1-olate
CID 58028394

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-1-cyclohexylethanone?
The IUPAC name of 2-(4-butoxyphenyl)-1-cyclohexylethanone (CID 71053379) is 2-(4-butoxyphenyl)-1-cyclohexylethanone.
What is the SMILES notation for 2-(4-butoxyphenyl)-1-cyclohexylethanone?
The canonical SMILES for 2-(4-butoxyphenyl)-1-cyclohexylethanone is CCCCOc1ccc(CC(=O)C2CCCCC2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-1-cyclohexylethanone?
The InChIKey is IIOMSRAUBIQBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-3-13-20-17-11-9-15(10-12-17)14-18(19)16-7-5-4-6-8-16/h9-12,16H,2-8,13-14H2,1H3.
What are the key properties of 2-(4-butoxyphenyl)-1-cyclohexylethanone?
2-(4-butoxyphenyl)-1-cyclohexylethanone has a molecular weight of 274.40 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-1-cyclohexylethanone is sourced from PubChem (CID 71053379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).