(3-phenylphenyl) 2-cyclohexylacetate

C20H22O2 — CID 24881867

IUPAC(3-phenylphenyl) 2-cyclohexylacetate
SMILESO=C(CC1CCCCC1)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H22O2/c21-20(14-16-8-3-1-4-9-16)22-19-13-7-12-18(15-19)17-10-5-2-6-11-17/h2,5-7,10-13,15-16H,1,3-4,8-9,14H2
InChIKeyVBMZBWIWRKLCHP-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.23
Rot. Bonds4

About (3-phenylphenyl) 2-cyclohexylacetate

(3-phenylphenyl) 2-cyclohexylacetate (PubChem CID 24881867) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3-phenylphenyl) 2-cyclohexylacetate.

Molecular Properties

Compound Name(3-phenylphenyl) 2-cyclohexylacetate
PubChem CID24881867
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(3-phenylphenyl) 2-cyclohexylacetate
SMILESO=C(CC1CCCCC1)Oc1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H22O2/c21-20(14-16-8-3-1-4-9-16)22-19-13-7-12-18(15-19)17-10-5-2-6-11-17/h2,5-7,10-13,15-16H,1,3-4,8-9,14H2
InChIKeyVBMZBWIWRKLCHP-UHFFFAOYSA-N
XLogP5.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-phenylphenyl) 2-cyclohexylacetate?
The IUPAC name of (3-phenylphenyl) 2-cyclohexylacetate (CID 24881867) is (3-phenylphenyl) 2-cyclohexylacetate.
What is the SMILES notation for (3-phenylphenyl) 2-cyclohexylacetate?
The canonical SMILES for (3-phenylphenyl) 2-cyclohexylacetate is O=C(CC1CCCCC1)Oc1cccc(-c2ccccc2)c1.
What is the InChIKey of (3-phenylphenyl) 2-cyclohexylacetate?
The InChIKey is VBMZBWIWRKLCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c21-20(14-16-8-3-1-4-9-16)22-19-13-7-12-18(15-19)17-10-5-2-6-11-17/h2,5-7,10-13,15-16H,1,3-4,8-9,14H2.
What are the key properties of (3-phenylphenyl) 2-cyclohexylacetate?
(3-phenylphenyl) 2-cyclohexylacetate has a molecular weight of 294.39 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylphenyl) 2-cyclohexylacetate is sourced from PubChem (CID 24881867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).