methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate

C14H10Br2O3 — CID 139192226

IUPACmethyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate
SMILESCOC(=O)c1c(Br)c(Br)cc(O)c1-c1ccccc1
InChIInChI=1S/C14H10Br2O3/c1-19-14(18)12-11(8-5-3-2-4-6-8)10(17)7-9(15)13(12)16/h2-7,17H,1H3
InChIKeyIPURUYKCGTUWMV-UHFFFAOYSA-N
MW386.04 g/mol
LogP4.37
Rot. Bonds2

About methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate

methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate (PubChem CID 139192226) has the molecular formula C14H10Br2O3 and a molecular weight of 386.04 g/mol. Its IUPAC name is methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate.

Molecular Properties

Compound Namemethyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate
PubChem CID139192226
Molecular FormulaC14H10Br2O3
Molecular Weight386.04 g/mol
Exact Mass383.90
IUPAC Namemethyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate
SMILESCOC(=O)c1c(Br)c(Br)cc(O)c1-c1ccccc1
InChIInChI=1S/C14H10Br2O3/c1-19-14(18)12-11(8-5-3-2-4-6-8)10(17)7-9(15)13(12)16/h2-7,17H,1H3
InChIKeyIPURUYKCGTUWMV-UHFFFAOYSA-N
XLogP4.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate?
The IUPAC name of methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate (CID 139192226) is methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate.
What is the SMILES notation for methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate?
The canonical SMILES for methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate is COC(=O)c1c(Br)c(Br)cc(O)c1-c1ccccc1.
What is the InChIKey of methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate?
The InChIKey is IPURUYKCGTUWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2O3/c1-19-14(18)12-11(8-5-3-2-4-6-8)10(17)7-9(15)13(12)16/h2-7,17H,1H3.
What are the key properties of methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate?
methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate has a molecular weight of 386.04 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dibromo-5-hydroxy-6-phenylbenzoate is sourced from PubChem (CID 139192226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).