4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol

C16H17BrO — CID 143802761

IUPAC4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol
SMILESCc1cc(-c2cc(Br)c(C)cc2C)c(C)cc1O
InChIInChI=1S/C16H17BrO/c1-9-5-11(3)15(17)8-14(9)13-6-12(4)16(18)7-10(13)2/h5-8,18H,1-4H3
InChIKeyCEFKEQUFCCAOQE-UHFFFAOYSA-N
MW305.22 g/mol
LogP5.06
Rot. Bonds1

About 4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol

4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol (PubChem CID 143802761) has the molecular formula C16H17BrO and a molecular weight of 305.22 g/mol. Its IUPAC name is 4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol
PubChem CID143802761
Molecular FormulaC16H17BrO
Molecular Weight305.22 g/mol
Exact Mass304.05
IUPAC Name4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol
SMILESCc1cc(-c2cc(Br)c(C)cc2C)c(C)cc1O
InChIInChI=1S/C16H17BrO/c1-9-5-11(3)15(17)8-14(9)13-6-12(4)16(18)7-10(13)2/h5-8,18H,1-4H3
InChIKeyCEFKEQUFCCAOQE-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.22
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol?
The IUPAC name of 4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol (CID 143802761) is 4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol.
What is the SMILES notation for 4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol?
The canonical SMILES for 4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol is Cc1cc(-c2cc(Br)c(C)cc2C)c(C)cc1O.
What is the InChIKey of 4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol?
The InChIKey is CEFKEQUFCCAOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO/c1-9-5-11(3)15(17)8-14(9)13-6-12(4)16(18)7-10(13)2/h5-8,18H,1-4H3.
What are the key properties of 4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol?
4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol has a molecular weight of 305.22 g/mol, XLogP of 5.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,4-dimethylphenyl)-2,5-dimethylphenol is sourced from PubChem (CID 143802761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).