(2-tert-butyl-4-ethylphenyl) benzoate

C19H22O2 — CID 146420995

IUPAC(2-tert-butyl-4-ethylphenyl) benzoate
SMILESCCc1ccc(OC(=O)c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C19H22O2/c1-5-14-11-12-17(16(13-14)19(2,3)4)21-18(20)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3
InChIKeyRKMVSOKQNNOQBA-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.77
Rot. Bonds3

About (2-tert-butyl-4-ethylphenyl) benzoate

(2-tert-butyl-4-ethylphenyl) benzoate (PubChem CID 146420995) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2-tert-butyl-4-ethylphenyl) benzoate.

Molecular Properties

Compound Name(2-tert-butyl-4-ethylphenyl) benzoate
PubChem CID146420995
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(2-tert-butyl-4-ethylphenyl) benzoate
SMILESCCc1ccc(OC(=O)c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C19H22O2/c1-5-14-11-12-17(16(13-14)19(2,3)4)21-18(20)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3
InChIKeyRKMVSOKQNNOQBA-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.77
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

(2-tert-butylphenyl) benzoate
CID 734595
[3-tert-butyl-4-(4-ethylbenzoyl)oxyphenyl] 4-ethylbenzoate;ethane
CID 91445499
(2-acetyl-4-ethylphenyl) benzoate
CID 11832389
2-(2-tert-butyl-4-ethylphenoxy)benzaldehyde
CID 28514995
(2-benzoyloxy-4-tert-butyl-5-methylphenyl) benzoate
CID 172852999
2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde
CID 20988456
(2-benzoyloxy-3-tert-butyl-5-methylphenyl) benzoate
CID 59400552
methyl 2-(2-tert-butyl-4-ethylphenoxy)acetate
CID 28905814
[4-[4-(2-methylbutan-2-yloxy)-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl] benzoate
CID 89142252
4-(2-tert-butyl-4-ethylphenoxy)-3-methylbut-2-enoic acid
CID 77005489
(2,4-ditert-butylphenyl) 3,5-ditert-butylbenzoate
CID 15501021
5-[(2-tert-butyl-4-ethylphenoxy)methyl]furan-2-carboxylic acid
CID 7138841

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-ethylphenyl) benzoate?
The IUPAC name of (2-tert-butyl-4-ethylphenyl) benzoate (CID 146420995) is (2-tert-butyl-4-ethylphenyl) benzoate.
What is the SMILES notation for (2-tert-butyl-4-ethylphenyl) benzoate?
The canonical SMILES for (2-tert-butyl-4-ethylphenyl) benzoate is CCc1ccc(OC(=O)c2ccccc2)c(C(C)(C)C)c1.
What is the InChIKey of (2-tert-butyl-4-ethylphenyl) benzoate?
The InChIKey is RKMVSOKQNNOQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-5-14-11-12-17(16(13-14)19(2,3)4)21-18(20)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3.
What are the key properties of (2-tert-butyl-4-ethylphenyl) benzoate?
(2-tert-butyl-4-ethylphenyl) benzoate has a molecular weight of 282.38 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-ethylphenyl) benzoate is sourced from PubChem (CID 146420995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).