2-bromo-3,5-di(propan-2-yl)phenol

C12H17BrO — CID 11550631

IUPAC2-bromo-3,5-di(propan-2-yl)phenol
SMILESCC(C)c1cc(O)c(Br)c(C(C)C)c1
InChIInChI=1S/C12H17BrO/c1-7(2)9-5-10(8(3)4)12(13)11(14)6-9/h5-8,14H,1-4H3
InChIKeyRGXBPCULDPIZEY-UHFFFAOYSA-N
MW257.17 g/mol
LogP4.40
Rot. Bonds2

About 2-bromo-3,5-di(propan-2-yl)phenol

2-bromo-3,5-di(propan-2-yl)phenol (PubChem CID 11550631) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-bromo-3,5-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2-bromo-3,5-di(propan-2-yl)phenol
PubChem CID11550631
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name2-bromo-3,5-di(propan-2-yl)phenol
SMILESCC(C)c1cc(O)c(Br)c(C(C)C)c1
InChIInChI=1S/C12H17BrO/c1-7(2)9-5-10(8(3)4)12(13)11(14)6-9/h5-8,14H,1-4H3
InChIKeyRGXBPCULDPIZEY-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,5-di(propan-2-yl)phenol?
The IUPAC name of 2-bromo-3,5-di(propan-2-yl)phenol (CID 11550631) is 2-bromo-3,5-di(propan-2-yl)phenol.
What is the SMILES notation for 2-bromo-3,5-di(propan-2-yl)phenol?
The canonical SMILES for 2-bromo-3,5-di(propan-2-yl)phenol is CC(C)c1cc(O)c(Br)c(C(C)C)c1.
What is the InChIKey of 2-bromo-3,5-di(propan-2-yl)phenol?
The InChIKey is RGXBPCULDPIZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-7(2)9-5-10(8(3)4)12(13)11(14)6-9/h5-8,14H,1-4H3.
What are the key properties of 2-bromo-3,5-di(propan-2-yl)phenol?
2-bromo-3,5-di(propan-2-yl)phenol has a molecular weight of 257.17 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,5-di(propan-2-yl)phenol is sourced from PubChem (CID 11550631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).