2-(3-bromophenyl)propan-2-ol;ethanol

C11H17BrO2 — CID 144557078

IUPAC2-(3-bromophenyl)propan-2-ol;ethanol
SMILESCC(C)(O)c1cccc(Br)c1.CCO
InChIInChI=1S/C9H11BrO.C2H6O/c1-9(2,11)7-4-3-5-8(10)6-7;1-2-3/h3-6,11H,1-2H3;3H,2H2,1H3
InChIKeyWDRZRPHOPUJDEJ-UHFFFAOYSA-N
MW261.16 g/mol
LogP2.68
Rot. Bonds1

About 2-(3-bromophenyl)propan-2-ol;ethanol

2-(3-bromophenyl)propan-2-ol;ethanol (PubChem CID 144557078) has the molecular formula C11H17BrO2 and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-(3-bromophenyl)propan-2-ol;ethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)propan-2-ol;ethanol
PubChem CID144557078
Molecular FormulaC11H17BrO2
Molecular Weight261.16 g/mol
Exact Mass260.04
IUPAC Name2-(3-bromophenyl)propan-2-ol;ethanol
SMILESCC(C)(O)c1cccc(Br)c1.CCO
InChIInChI=1S/C9H11BrO.C2H6O/c1-9(2,11)7-4-3-5-8(10)6-7;1-2-3/h3-6,11H,1-2H3;3H,2H2,1H3
InChIKeyWDRZRPHOPUJDEJ-UHFFFAOYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)pentan-3-ol
CID 57443482
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
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1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
CID 142383072
3-(3-bromophenyl)-2-ethyl-3-hydroxy-2-methylbutanenitrile
CID 79130291
3-(3-bromophenyl)-5-ethylheptan-3-ol
CID 114079223
2-(3-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773970
1-bromo-3-(2-chlorobutan-2-yl)benzene
CID 171061964
2-(3-bromophenyl)-1-methoxypropan-2-ol
CID 79566424
2-(3-bromophenyl)nonan-2-ol
CID 65144812
1-(3-bromophenyl)-1-(4-propylphenyl)ethanol
CID 63406796
3-(aminomethyl)-2-(3-bromophenyl)pentan-2-ol
CID 79127279

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)propan-2-ol;ethanol?
The IUPAC name of 2-(3-bromophenyl)propan-2-ol;ethanol (CID 144557078) is 2-(3-bromophenyl)propan-2-ol;ethanol.
What is the SMILES notation for 2-(3-bromophenyl)propan-2-ol;ethanol?
The canonical SMILES for 2-(3-bromophenyl)propan-2-ol;ethanol is CC(C)(O)c1cccc(Br)c1.CCO.
What is the InChIKey of 2-(3-bromophenyl)propan-2-ol;ethanol?
The InChIKey is WDRZRPHOPUJDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO.C2H6O/c1-9(2,11)7-4-3-5-8(10)6-7;1-2-3/h3-6,11H,1-2H3;3H,2H2,1H3.
What are the key properties of 2-(3-bromophenyl)propan-2-ol;ethanol?
2-(3-bromophenyl)propan-2-ol;ethanol has a molecular weight of 261.16 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)propan-2-ol;ethanol is sourced from PubChem (CID 144557078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).