cyclohexyl 2-(4-phenylphenoxy)propanoate

C21H24O3 — CID 23961617

IUPACcyclohexyl 2-(4-phenylphenoxy)propanoate
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)OC1CCCCC1
InChIInChI=1S/C21H24O3/c1-16(21(22)24-19-10-6-3-7-11-19)23-20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2,4-5,8-9,12-16,19H,3,6-7,10-11H2,1H3
InChIKeyBFXDFOCNHZDOEW-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.00
Rot. Bonds5

About cyclohexyl 2-(4-phenylphenoxy)propanoate

cyclohexyl 2-(4-phenylphenoxy)propanoate (PubChem CID 23961617) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is cyclohexyl 2-(4-phenylphenoxy)propanoate.

Molecular Properties

Compound Namecyclohexyl 2-(4-phenylphenoxy)propanoate
PubChem CID23961617
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Namecyclohexyl 2-(4-phenylphenoxy)propanoate
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)OC1CCCCC1
InChIInChI=1S/C21H24O3/c1-16(21(22)24-19-10-6-3-7-11-19)23-20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2,4-5,8-9,12-16,19H,3,6-7,10-11H2,1H3
InChIKeyBFXDFOCNHZDOEW-UHFFFAOYSA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl 4-[2-(4-phenylphenoxy)propanoylamino]benzoate
CID 19191526
cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate
CID 2978712
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
cyclohexyl (2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 7695414
cyclohexyl (2R)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoate
CID 7695417
1-(4-aminopiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 119376748
dicyclohexyl 2-phenylpropanedioate
CID 130210180
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119634509
cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate
CID 59093478
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-phenylphenoxy)propanoate?
The IUPAC name of cyclohexyl 2-(4-phenylphenoxy)propanoate (CID 23961617) is cyclohexyl 2-(4-phenylphenoxy)propanoate.
What is the SMILES notation for cyclohexyl 2-(4-phenylphenoxy)propanoate?
The canonical SMILES for cyclohexyl 2-(4-phenylphenoxy)propanoate is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(4-phenylphenoxy)propanoate?
The InChIKey is BFXDFOCNHZDOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-16(21(22)24-19-10-6-3-7-11-19)23-20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2,4-5,8-9,12-16,19H,3,6-7,10-11H2,1H3.
What are the key properties of cyclohexyl 2-(4-phenylphenoxy)propanoate?
cyclohexyl 2-(4-phenylphenoxy)propanoate has a molecular weight of 324.42 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-phenylphenoxy)propanoate is sourced from PubChem (CID 23961617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).