(2R)-1-(3-bromophenoxy)pentan-2-ol

C11H15BrO2 — CID 159297241

IUPAC(2R)-1-(3-bromophenoxy)pentan-2-ol
SMILESCCC[C@@H](O)COc1cccc(Br)c1
InChIInChI=1S/C11H15BrO2/c1-2-4-10(13)8-14-11-6-3-5-9(12)7-11/h3,5-7,10,13H,2,4,8H2,1H3/t10-/m1/s1
InChIKeyPKHCRDBXEPGEDO-SNVBAGLBSA-N
MW259.14 g/mol
LogP2.99
Rot. Bonds5

About (2R)-1-(3-bromophenoxy)pentan-2-ol

(2R)-1-(3-bromophenoxy)pentan-2-ol (PubChem CID 159297241) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is (2R)-1-(3-bromophenoxy)pentan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-bromophenoxy)pentan-2-ol
PubChem CID159297241
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name(2R)-1-(3-bromophenoxy)pentan-2-ol
SMILESCCC[C@@H](O)COc1cccc(Br)c1
InChIInChI=1S/C11H15BrO2/c1-2-4-10(13)8-14-11-6-3-5-9(12)7-11/h3,5-7,10,13H,2,4,8H2,1H3/t10-/m1/s1
InChIKeyPKHCRDBXEPGEDO-SNVBAGLBSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(2-propylpentoxy)benzene
CID 67316784
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(3-bromophenoxy)-3-(octylamino)propan-2-ol
CID 115567734
1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol
CID 62264936
4-(3-bromophenoxy)-3-hydroxybutanoic acid
CID 82093685
[3-(3-bromophenoxy)-2-hydroxypropyl] formate
CID 89316807
[(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-[(2R)-1-hydroxybutan-2-yl]azanium
CID 7832296
2-[(3-bromophenoxy)methyl]butan-1-ol
CID 117241907
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111894
[3-(3-bromophenoxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 59017839
1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900116

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-bromophenoxy)pentan-2-ol?
The IUPAC name of (2R)-1-(3-bromophenoxy)pentan-2-ol (CID 159297241) is (2R)-1-(3-bromophenoxy)pentan-2-ol.
What is the SMILES notation for (2R)-1-(3-bromophenoxy)pentan-2-ol?
The canonical SMILES for (2R)-1-(3-bromophenoxy)pentan-2-ol is CCC[C@@H](O)COc1cccc(Br)c1.
What is the InChIKey of (2R)-1-(3-bromophenoxy)pentan-2-ol?
The InChIKey is PKHCRDBXEPGEDO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-2-4-10(13)8-14-11-6-3-5-9(12)7-11/h3,5-7,10,13H,2,4,8H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-(3-bromophenoxy)pentan-2-ol?
(2R)-1-(3-bromophenoxy)pentan-2-ol has a molecular weight of 259.14 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-bromophenoxy)pentan-2-ol is sourced from PubChem (CID 159297241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).