tert-butyl 3,5-dibromo-2-hydroxybenzoate

C11H12Br2O3 — CID 15931183

IUPACtert-butyl 3,5-dibromo-2-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C11H12Br2O3/c1-11(2,3)16-10(15)7-4-6(12)5-8(13)9(7)14/h4-5,14H,1-3H3
InChIKeyMFZYAHYEMPWVFL-UHFFFAOYSA-N
MW352.02 g/mol
LogP3.87
Rot. Bonds1

About tert-butyl 3,5-dibromo-2-hydroxybenzoate

tert-butyl 3,5-dibromo-2-hydroxybenzoate (PubChem CID 15931183) has the molecular formula C11H12Br2O3 and a molecular weight of 352.02 g/mol. Its IUPAC name is tert-butyl 3,5-dibromo-2-hydroxybenzoate.

Molecular Properties

Compound Nametert-butyl 3,5-dibromo-2-hydroxybenzoate
PubChem CID15931183
Molecular FormulaC11H12Br2O3
Molecular Weight352.02 g/mol
Exact Mass349.92
IUPAC Nametert-butyl 3,5-dibromo-2-hydroxybenzoate
SMILESCC(C)(C)OC(=O)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C11H12Br2O3/c1-11(2,3)16-10(15)7-4-6(12)5-8(13)9(7)14/h4-5,14H,1-3H3
InChIKeyMFZYAHYEMPWVFL-UHFFFAOYSA-N
XLogP3.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.02
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-bromo-2-sulfanylbenzoate
CID 174419688
4,5-dibromo-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid;ethane
CID 69126153
bis((3,5-dibromo-2-hydroxybenzoyl)oxidanium);manganese(2+)
CID 4036118
2-O-tert-butyl 1-O-ethyl 4,5-dibromobenzene-1,2-dicarboxylate
CID 23502195
tert-butyl 4-bromo-2-methylbenzoate;ethane
CID 144552555
tert-butyl 2-bromo-5-chlorobenzoate
CID 59447603
ditert-butyl 2,5-dimethylbenzene-1,4-dicarboxylate
CID 4229880
ditert-butyl 2-bromo-5-prop-1-enylbenzene-1,4-dicarboxylate
CID 156782655
tert-butyl 2-amino-4-bromo-6-hydroxybenzoate
CID 167717937
4-(3,5-dibromo-2-hydroxybenzoyl)oxy-2,3,5,6-tetrafluorobenzenesulfonate
CID 156666423
5-bromo-2-oxo-1H-pyridine-3-carboxylic acid;tert-butyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
CID 159330570
tert-butyl 3,5-dibromo-4-methylbenzoate
CID 118703544

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,5-dibromo-2-hydroxybenzoate?
The IUPAC name of tert-butyl 3,5-dibromo-2-hydroxybenzoate (CID 15931183) is tert-butyl 3,5-dibromo-2-hydroxybenzoate.
What is the SMILES notation for tert-butyl 3,5-dibromo-2-hydroxybenzoate?
The canonical SMILES for tert-butyl 3,5-dibromo-2-hydroxybenzoate is CC(C)(C)OC(=O)c1cc(Br)cc(Br)c1O.
What is the InChIKey of tert-butyl 3,5-dibromo-2-hydroxybenzoate?
The InChIKey is MFZYAHYEMPWVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O3/c1-11(2,3)16-10(15)7-4-6(12)5-8(13)9(7)14/h4-5,14H,1-3H3.
What are the key properties of tert-butyl 3,5-dibromo-2-hydroxybenzoate?
tert-butyl 3,5-dibromo-2-hydroxybenzoate has a molecular weight of 352.02 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,5-dibromo-2-hydroxybenzoate is sourced from PubChem (CID 15931183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).