(4-ethylphenyl) 4-propan-2-ylbenzoate

C18H20O2 — CID 1406527

IUPAC(4-ethylphenyl) 4-propan-2-ylbenzoate
SMILESCCc1ccc(OC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H20O2/c1-4-14-5-11-17(12-6-14)20-18(19)16-9-7-15(8-10-16)13(2)3/h5-13H,4H2,1-3H3
InChIKeyPXXGFCZHHKZFKY-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.59
Rot. Bonds4

About (4-ethylphenyl) 4-propan-2-ylbenzoate

(4-ethylphenyl) 4-propan-2-ylbenzoate (PubChem CID 1406527) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (4-ethylphenyl) 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name(4-ethylphenyl) 4-propan-2-ylbenzoate
PubChem CID1406527
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(4-ethylphenyl) 4-propan-2-ylbenzoate
SMILESCCc1ccc(OC(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C18H20O2/c1-4-14-5-11-17(12-6-14)20-18(19)16-9-7-15(8-10-16)13(2)3/h5-13H,4H2,1-3H3
InChIKeyPXXGFCZHHKZFKY-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.59
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

(4-ethylphenyl) 4-chlorobenzoate
CID 695931
(4-methylphenyl) 4-propan-2-ylbenzoate
CID 1406523
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890
1-ethyl-4-(4-propan-2-ylphenoxy)benzene
CID 66612955
bis(4-propan-2-ylphenyl) benzene-1,3-dicarboxylate
CID 91739884
[4-(1-phenylethylcarbamoyl)phenyl] 4-ethylbenzoate
CID 23597756
(4-prop-2-enoylphenyl) 4-ethylbenzoate
CID 123505415
(4-ethylphenyl) 4-(propan-2-ylsulfamoyl)benzoate
CID 16592113
(3,5-dimethylphenyl) 4-propan-2-ylbenzoate
CID 1406526
[4-(hydroxycarbamoylamino)phenyl] 4-propan-2-ylbenzoate
CID 22762252
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl) 4-propan-2-ylbenzoate?
The IUPAC name of (4-ethylphenyl) 4-propan-2-ylbenzoate (CID 1406527) is (4-ethylphenyl) 4-propan-2-ylbenzoate.
What is the SMILES notation for (4-ethylphenyl) 4-propan-2-ylbenzoate?
The canonical SMILES for (4-ethylphenyl) 4-propan-2-ylbenzoate is CCc1ccc(OC(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (4-ethylphenyl) 4-propan-2-ylbenzoate?
The InChIKey is PXXGFCZHHKZFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-4-14-5-11-17(12-6-14)20-18(19)16-9-7-15(8-10-16)13(2)3/h5-13H,4H2,1-3H3.
What are the key properties of (4-ethylphenyl) 4-propan-2-ylbenzoate?
(4-ethylphenyl) 4-propan-2-ylbenzoate has a molecular weight of 268.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl) 4-propan-2-ylbenzoate is sourced from PubChem (CID 1406527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).