[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate

C24H28O4 — CID 23931842

IUPAC[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H28O4/c1-2-18-8-14-22(15-9-18)27-17-24(26)28-16-23(25)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h8-15,19H,2-7,16-17H2,1H3
InChIKeyZDQDUZVZSDGMHC-UHFFFAOYSA-N
MW380.48 g/mol
LogP5.10
Rot. Bonds8

About [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate

[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate (PubChem CID 23931842) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
PubChem CID23931842
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H28O4/c1-2-18-8-14-22(15-9-18)27-17-24(26)28-16-23(25)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h8-15,19H,2-7,16-17H2,1H3
InChIKeyZDQDUZVZSDGMHC-UHFFFAOYSA-N
XLogP5.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 23855632
[2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468729
4-O-[2-(4-cyclohexylphenyl)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 6066141
2-bromo-1-[4-[(4-cyclohexylphenyl)methoxy]phenyl]ethanone
CID 58782300
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
CID 159588283
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855189
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidopropanoate
CID 7197417
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 23735027
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916
2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone
CID 46307497

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate (CID 23931842) is [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The InChIKey is ZDQDUZVZSDGMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4/c1-2-18-8-14-22(15-9-18)27-17-24(26)28-16-23(25)21-12-10-20(11-13-21)19-6-4-3-5-7-19/h8-15,19H,2-7,16-17H2,1H3.
What are the key properties of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate has a molecular weight of 380.48 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 23931842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).