2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol

C16H14Br4O — CID 140967857

IUPAC2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol
SMILESCc1cc(-c2c(O)c(Br)c(Br)c(Br)c2Br)c(C)c(C)c1C
InChIInChI=1S/C16H14Br4O/c1-6-5-10(9(4)8(3)7(6)2)11-12(17)13(18)14(19)15(20)16(11)21/h5,21H,1-4H3
InChIKeyPZDZCEJFCOLKBI-UHFFFAOYSA-N
MW541.90 g/mol
LogP7.34
Rot. Bonds1

About 2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol

2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol (PubChem CID 140967857) has the molecular formula C16H14Br4O and a molecular weight of 541.90 g/mol. Its IUPAC name is 2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol.

Molecular Properties

Compound Name2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol
PubChem CID140967857
Molecular FormulaC16H14Br4O
Molecular Weight541.90 g/mol
Exact Mass537.78
IUPAC Name2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol
SMILESCc1cc(-c2c(O)c(Br)c(Br)c(Br)c2Br)c(C)c(C)c1C
InChIInChI=1S/C16H14Br4O/c1-6-5-10(9(4)8(3)7(6)2)11-12(17)13(18)14(19)15(20)16(11)21/h5,21H,1-4H3
InChIKeyPZDZCEJFCOLKBI-UHFFFAOYSA-N
XLogP7.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.90
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol?
The IUPAC name of 2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol (CID 140967857) is 2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol.
What is the SMILES notation for 2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol?
The canonical SMILES for 2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol is Cc1cc(-c2c(O)c(Br)c(Br)c(Br)c2Br)c(C)c(C)c1C.
What is the InChIKey of 2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol?
The InChIKey is PZDZCEJFCOLKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br4O/c1-6-5-10(9(4)8(3)7(6)2)11-12(17)13(18)14(19)15(20)16(11)21/h5,21H,1-4H3.
What are the key properties of 2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol?
2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol has a molecular weight of 541.90 g/mol, XLogP of 7.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrabromo-6-(2,3,4,5-tetramethylphenyl)phenol is sourced from PubChem (CID 140967857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).