phenyl 2,6-di(propan-2-yl)benzoate

C19H22O2 — CID 175162380

IUPACphenyl 2,6-di(propan-2-yl)benzoate
SMILESCC(C)c1cccc(C(C)C)c1C(=O)Oc1ccccc1
InChIInChI=1S/C19H22O2/c1-13(2)16-11-8-12-17(14(3)4)18(16)19(20)21-15-9-6-5-7-10-15/h5-14H,1-4H3
InChIKeySOQAPWCNZYKYTK-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.15
Rot. Bonds4

About phenyl 2,6-di(propan-2-yl)benzoate

phenyl 2,6-di(propan-2-yl)benzoate (PubChem CID 175162380) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is phenyl 2,6-di(propan-2-yl)benzoate.

Molecular Properties

Compound Namephenyl 2,6-di(propan-2-yl)benzoate
PubChem CID175162380
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Namephenyl 2,6-di(propan-2-yl)benzoate
SMILESCC(C)c1cccc(C(C)C)c1C(=O)Oc1ccccc1
InChIInChI=1S/C19H22O2/c1-13(2)16-11-8-12-17(14(3)4)18(16)19(20)21-15-9-6-5-7-10-15/h5-14H,1-4H3
InChIKeySOQAPWCNZYKYTK-UHFFFAOYSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.15
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

[2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate
CID 141216683
diphenyl benzene-1,2-dicarboxylate;trihydroxy(methyl)phosphanium
CID 158752634
phenyl 3-hydroxy-2-propan-2-ylbenzoate
CID 141297528
2,6-di(propan-2-yl)benzoic acid;2,6-di(propan-2-yl)phenol
CID 161375553
phenyl 2-acetyl-6-aminobenzoate
CID 58782447
ethane;methyl 2-methyl-6-propan-2-ylbenzoate
CID 144651677
methyl 2-(1-cyclopropylethyl)-6-propan-2-ylbenzoate
CID 175048002
phenyl 3,5-diamino-1-methylpyrazole-4-carboxylate
CID 151516178
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
CID 8779154
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
diphenyl oxalate;ethane
CID 162013592
4-phenoxy-2,6-di(propan-2-yl)benzamide
CID 174677959

Frequently Asked Questions

What is the IUPAC name of phenyl 2,6-di(propan-2-yl)benzoate?
The IUPAC name of phenyl 2,6-di(propan-2-yl)benzoate (CID 175162380) is phenyl 2,6-di(propan-2-yl)benzoate.
What is the SMILES notation for phenyl 2,6-di(propan-2-yl)benzoate?
The canonical SMILES for phenyl 2,6-di(propan-2-yl)benzoate is CC(C)c1cccc(C(C)C)c1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2,6-di(propan-2-yl)benzoate?
The InChIKey is SOQAPWCNZYKYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13(2)16-11-8-12-17(14(3)4)18(16)19(20)21-15-9-6-5-7-10-15/h5-14H,1-4H3.
What are the key properties of phenyl 2,6-di(propan-2-yl)benzoate?
phenyl 2,6-di(propan-2-yl)benzoate has a molecular weight of 282.38 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2,6-di(propan-2-yl)benzoate is sourced from PubChem (CID 175162380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).