(4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate

C27H28O2 — CID 20724307

IUPAC(4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate
SMILESO=C(Oc1ccc(C2CCCCC2)cc1)c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C27H28O2/c28-27(29-26-19-17-24(18-20-26)23-9-5-2-6-10-23)25-15-13-22(14-16-25)12-11-21-7-3-1-4-8-21/h1,3-4,7-8,13-20,23H,2,5-6,9-12H2
InChIKeyLNRNGOAGJSBDLR-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.74
Rot. Bonds6

About (4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate

(4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate (PubChem CID 20724307) has the molecular formula C27H28O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is (4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate.

Molecular Properties

Compound Name(4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate
PubChem CID20724307
Molecular FormulaC27H28O2
Molecular Weight384.52 g/mol
Exact Mass384.21
IUPAC Name(4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate
SMILESO=C(Oc1ccc(C2CCCCC2)cc1)c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C27H28O2/c28-27(29-26-19-17-24(18-20-26)23-9-5-2-6-10-23)25-15-13-22(14-16-25)12-11-21-7-3-1-4-8-21/h1,3-4,7-8,13-20,23H,2,5-6,9-12H2
InChIKeyLNRNGOAGJSBDLR-UHFFFAOYSA-N
XLogP6.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 4-[2-(4-cyclohexylphenyl)ethynyl]benzoate
CID 20724451
(4-cyclohexylphenyl) 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126185466
phenyl 4-[2-[4-(cyclohexyloxymethoxy)phenyl]ethyl]benzoate
CID 20724447
[4-[2-[4-(cyclohexyloxymethoxy)phenyl]ethyl]phenyl] benzoate
CID 20724191
(4-cyanophenyl) 4-cyclohexylbenzoate
CID 139383045
(4-cyclohexylphenyl) 4-nitrobenzoate
CID 806409
(4-cyclohexylphenyl) 4-decoxybenzoate
CID 70557879
phenyl 3-cyclohexylbenzoate
CID 67161898
(2S)-2-[(4-tert-butylbenzoyl)amino]-3-[4-(4-cyclohexylbenzoyl)oxyphenyl]propanoic acid
CID 58545798
[4-(4-ethylcyclohexyl)phenyl] 4-pentylbenzoate
CID 23334649
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
[4-(silylmethyl)phenyl] 4-(4-methylcyclohexyl)benzoate
CID 123393193

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate?
The IUPAC name of (4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate (CID 20724307) is (4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate.
What is the SMILES notation for (4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate?
The canonical SMILES for (4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate is O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of (4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate?
The InChIKey is LNRNGOAGJSBDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O2/c28-27(29-26-19-17-24(18-20-26)23-9-5-2-6-10-23)25-15-13-22(14-16-25)12-11-21-7-3-1-4-8-21/h1,3-4,7-8,13-20,23H,2,5-6,9-12H2.
What are the key properties of (4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate?
(4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate has a molecular weight of 384.52 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl) 4-(2-phenylethyl)benzoate is sourced from PubChem (CID 20724307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).