[2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate

C26H26O5 — CID 7468729

IUPAC[2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(COc2ccccc2)o1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C26H26O5/c27-24(21-13-11-20(12-14-21)19-7-3-1-4-8-19)18-30-26(28)25-16-15-23(31-25)17-29-22-9-5-2-6-10-22/h2,5-6,9-16,19H,1,3-4,7-8,17-18H2
InChIKeyHMASZQNQFLTFSK-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.95
Rot. Bonds8

About [2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate

[2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate (PubChem CID 7468729) has the molecular formula C26H26O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is [2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
PubChem CID7468729
Molecular FormulaC26H26O5
Molecular Weight418.49 g/mol
Exact Mass418.18
IUPAC Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(COc2ccccc2)o1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C26H26O5/c27-24(21-13-11-20(12-14-21)19-7-3-1-4-8-19)18-30-26(28)25-16-15-23(31-25)17-29-22-9-5-2-6-10-22/h2,5-6,9-16,19H,1,3-4,7-8,17-18H2
InChIKeyHMASZQNQFLTFSK-UHFFFAOYSA-N
XLogP5.95
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 16556449
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 11918315
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 23931842
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468711
2-bromo-1-[4-[(4-cyclohexylphenyl)methoxy]phenyl]ethanone
CID 58782300
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 4993605
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 22829690
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 16519080
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468734
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893030
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 1280548

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate (CID 7468729) is [2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate is O=C(COC(=O)c1ccc(COc2ccccc2)o1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of [2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is HMASZQNQFLTFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O5/c27-24(21-13-11-20(12-14-21)19-7-3-1-4-8-19)18-30-26(28)25-16-15-23(31-25)17-29-22-9-5-2-6-10-22/h2,5-6,9-16,19H,1,3-4,7-8,17-18H2.
What are the key properties of [2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate?
[2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 418.49 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclohexylphenyl)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 7468729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).