(2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate

C17H16Br2O3 — CID 23013091

IUPAC(2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate
SMILESCc1cc(Br)cc(Br)c1OC(=O)c1ccccc1OC(C)C
InChIInChI=1S/C17H16Br2O3/c1-10(2)21-15-7-5-4-6-13(15)17(20)22-16-11(3)8-12(18)9-14(16)19/h4-10H,1-3H3
InChIKeyUUBFXADWJGVGCR-UHFFFAOYSA-N
MW428.12 g/mol
LogP5.53
Rot. Bonds4

About (2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate

(2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate (PubChem CID 23013091) has the molecular formula C17H16Br2O3 and a molecular weight of 428.12 g/mol. Its IUPAC name is (2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate.

Molecular Properties

Compound Name(2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate
PubChem CID23013091
Molecular FormulaC17H16Br2O3
Molecular Weight428.12 g/mol
Exact Mass425.95
IUPAC Name(2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate
SMILESCc1cc(Br)cc(Br)c1OC(=O)c1ccccc1OC(C)C
InChIInChI=1S/C17H16Br2O3/c1-10(2)21-15-7-5-4-6-13(15)17(20)22-16-11(3)8-12(18)9-14(16)19/h4-10H,1-3H3
InChIKeyUUBFXADWJGVGCR-UHFFFAOYSA-N
XLogP5.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.12
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-2,6-dimethylphenyl) 3-bromo-4-propan-2-yloxybenzoate
CID 23012970
(3,5-dichloro-4-methylphenyl) 2-propan-2-yloxybenzoate
CID 23013103
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
naphthalen-1-yl 2-propan-2-yloxybenzoate
CID 23013102
(4-bromo-2,6-dimethylphenyl) 2-nitrobenzoate
CID 2211561
phenyl 5-bromo-2-propan-2-yloxybenzoate
CID 23013210
(2-propan-2-ylphenyl) 2-(2,4-dibromo-6-methylphenoxy)acetate
CID 23011034
(2,4-dibromo-6-methylphenyl) 4-(2-methylpropoxy)benzoate
CID 23011591
(2,4,6-tribromophenyl) naphthalene-1-carboxylate
CID 4586991
2-propan-2-yloxybenzoyl chloride
CID 15921914
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
propyl 2-propan-2-yloxybenzoate
CID 82186328

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate?
The IUPAC name of (2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate (CID 23013091) is (2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate.
What is the SMILES notation for (2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate?
The canonical SMILES for (2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate is Cc1cc(Br)cc(Br)c1OC(=O)c1ccccc1OC(C)C.
What is the InChIKey of (2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate?
The InChIKey is UUBFXADWJGVGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2O3/c1-10(2)21-15-7-5-4-6-13(15)17(20)22-16-11(3)8-12(18)9-14(16)19/h4-10H,1-3H3.
What are the key properties of (2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate?
(2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate has a molecular weight of 428.12 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromo-6-methylphenyl) 2-propan-2-yloxybenzoate is sourced from PubChem (CID 23013091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).