4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol

C12H17BrO2 — CID 117435110

IUPAC4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(CCCO)cc1Br
InChIInChI=1S/C12H17BrO2/c1-8(2)10-7-12(15)9(4-3-5-14)6-11(10)13/h6-8,14-15H,3-5H2,1-2H3
InChIKeyVFRJINSGJLGLSM-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.20
Rot. Bonds4

About 4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol

4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol (PubChem CID 117435110) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol
PubChem CID117435110
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(CCCO)cc1Br
InChIInChI=1S/C12H17BrO2/c1-8(2)10-7-12(15)9(4-3-5-14)6-11(10)13/h6-8,14-15H,3-5H2,1-2H3
InChIKeyVFRJINSGJLGLSM-UHFFFAOYSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminopropyl)-4-bromo-5-propan-2-ylphenol
CID 117433020
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
4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117435150
2-(3-aminopropyl)-4-chloro-5-propan-2-ylphenol
CID 117328035
2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117433028
4-bromo-5-butyl-2-propylphenol
CID 118092192
(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol
CID 84709781
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
4-bromo-3-(3-hydroxypropyl)phenol
CID 66845048
3-(2-fluoro-5-propan-2-ylphenyl)propan-1-ol
CID 117286425

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol?
The IUPAC name of 4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol (CID 117435110) is 4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol.
What is the SMILES notation for 4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol?
The canonical SMILES for 4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol is CC(C)c1cc(O)c(CCCO)cc1Br.
What is the InChIKey of 4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol?
The InChIKey is VFRJINSGJLGLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-8(2)10-7-12(15)9(4-3-5-14)6-11(10)13/h6-8,14-15H,3-5H2,1-2H3.
What are the key properties of 4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol?
4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol has a molecular weight of 273.17 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-hydroxypropyl)-5-propan-2-ylphenol is sourced from PubChem (CID 117435110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).