4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol

C12H17BrO2 — CID 117435150

IUPAC4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(C(C)CO)cc1Br
InChIInChI=1S/C12H17BrO2/c1-7(2)9-5-12(15)10(4-11(9)13)8(3)6-14/h4-5,7-8,14-15H,6H2,1-3H3
InChIKeyYVKZTSMUMHSLRJ-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.37
Rot. Bonds3

About 4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol

4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol (PubChem CID 117435150) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
PubChem CID117435150
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(C(C)CO)cc1Br
InChIInChI=1S/C12H17BrO2/c1-7(2)9-5-12(15)10(4-11(9)13)8(3)6-14/h4-5,7-8,14-15H,6H2,1-3H3
InChIKeyYVKZTSMUMHSLRJ-UHFFFAOYSA-N
XLogP3.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117433028
2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117461466
4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol
CID 117465267
2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol
CID 105425131
4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol
CID 117435110
2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117284776
3-(5-bromo-2-hydroxy-4-propan-2-ylphenyl)propanoic acid
CID 102100748
4-bromo-2-[2-(methylamino)ethyl]-5-propan-2-ylphenol
CID 84713316
2-(3-aminopropyl)-4-bromo-5-propan-2-ylphenol
CID 117433020
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 105424219
2-(7-bromo-4-propan-2-yl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117485132
8-(1-hydroxypropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117321995

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol?
The IUPAC name of 4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol (CID 117435150) is 4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol.
What is the SMILES notation for 4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol?
The canonical SMILES for 4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol is CC(C)c1cc(O)c(C(C)CO)cc1Br.
What is the InChIKey of 4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol?
The InChIKey is YVKZTSMUMHSLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-7(2)9-5-12(15)10(4-11(9)13)8(3)6-14/h4-5,7-8,14-15H,6H2,1-3H3.
What are the key properties of 4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol?
4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol has a molecular weight of 273.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol is sourced from PubChem (CID 117435150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).