(4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate

C26H24O4 — CID 20724345

IUPAC(4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(OC(=O)C2CCCCC2)cc1
InChIInChI=1S/C26H24O4/c27-25(21-9-5-2-6-10-21)29-24-17-13-22(14-18-24)26(28)30-23-15-11-20(12-16-23)19-7-3-1-4-8-19/h1,3-4,7-8,11-18,21H,2,5-6,9-10H2
InChIKeyQCEZWZMPAYRQCR-UHFFFAOYSA-N
MW400.47 g/mol
LogP6.06
Rot. Bonds5

About (4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate

(4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate (PubChem CID 20724345) has the molecular formula C26H24O4 and a molecular weight of 400.47 g/mol. Its IUPAC name is (4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate.

Molecular Properties

Compound Name(4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate
PubChem CID20724345
Molecular FormulaC26H24O4
Molecular Weight400.47 g/mol
Exact Mass400.17
IUPAC Name(4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(OC(=O)C2CCCCC2)cc1
InChIInChI=1S/C26H24O4/c27-25(21-9-5-2-6-10-21)29-24-17-13-22(14-18-24)26(28)30-23-15-11-20(12-16-23)19-7-3-1-4-8-19/h1,3-4,7-8,11-18,21H,2,5-6,9-10H2
InChIKeyQCEZWZMPAYRQCR-UHFFFAOYSA-N
XLogP6.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.47
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-phenylphenyl) cyclopentanecarboxylate
CID 1234522
[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
[4-(4-phenylphenoxy)carbonylcyclohexyl] 4-phenylbenzoate
CID 20724277
hydron;phenyl cycloheptanecarboxylate
CID 174768034
[4-(cyclohexanecarbonyloxy)phenyl]-(4-methoxycarbonylphenyl)-phenylsulfanium
CID 164747326
(3,5-diphenylphenyl) cyclopentanecarboxylate
CID 44572266
(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931
[[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate
CID 5021428
(4-benzamidophenyl) cyclopentanecarboxylate
CID 26191011
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17201510
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
(4-phenylphenyl) 4-(trifluoromethoxy)benzoate
CID 7926515

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate?
The IUPAC name of (4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate (CID 20724345) is (4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate.
What is the SMILES notation for (4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate?
The canonical SMILES for (4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate is O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(OC(=O)C2CCCCC2)cc1.
What is the InChIKey of (4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate?
The InChIKey is QCEZWZMPAYRQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O4/c27-25(21-9-5-2-6-10-21)29-24-17-13-22(14-18-24)26(28)30-23-15-11-20(12-16-23)19-7-3-1-4-8-19/h1,3-4,7-8,11-18,21H,2,5-6,9-10H2.
What are the key properties of (4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate?
(4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate has a molecular weight of 400.47 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 4-(cyclohexanecarbonyloxy)benzoate is sourced from PubChem (CID 20724345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).