2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol

C15H23BrO2 — CID 89409425

IUPAC2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol
SMILESCC(C)(C)Oc1cc(C(C)(C)C)cc(CBr)c1O
InChIInChI=1S/C15H23BrO2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)18-15(4,5)6/h7-8,17H,9H2,1-6H3
InChIKeyXJVBVUAULPROKF-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.76
Rot. Bonds2

About 2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol

2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol (PubChem CID 89409425) has the molecular formula C15H23BrO2 and a molecular weight of 315.25 g/mol. Its IUPAC name is 2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol.

Molecular Properties

Compound Name2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol
PubChem CID89409425
Molecular FormulaC15H23BrO2
Molecular Weight315.25 g/mol
Exact Mass314.09
IUPAC Name2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol
SMILESCC(C)(C)Oc1cc(C(C)(C)C)cc(CBr)c1O
InChIInChI=1S/C15H23BrO2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)18-15(4,5)6/h7-8,17H,9H2,1-6H3
InChIKeyXJVBVUAULPROKF-UHFFFAOYSA-N
XLogP4.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol?
The IUPAC name of 2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol (CID 89409425) is 2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol.
What is the SMILES notation for 2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol?
The canonical SMILES for 2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol is CC(C)(C)Oc1cc(C(C)(C)C)cc(CBr)c1O.
What is the InChIKey of 2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol?
The InChIKey is XJVBVUAULPROKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)18-15(4,5)6/h7-8,17H,9H2,1-6H3.
What are the key properties of 2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol?
2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol has a molecular weight of 315.25 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-tert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol is sourced from PubChem (CID 89409425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).