(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol

C15H15BrO2 — CID 101048888

IUPAC(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
SMILESO[C@@H](CBr)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15BrO2/c16-10-14(17)11-18-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14,17H,10-11H2/t14-/m0/s1
InChIKeyQFKONZPHHUUDDN-AWEZNQCLSA-N
MW307.19 g/mol
LogP3.49
Rot. Bonds5

About (2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol

(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 101048888) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is (2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
PubChem CID101048888
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
SMILESO[C@@H](CBr)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15BrO2/c16-10-14(17)11-18-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14,17H,10-11H2/t14-/m0/s1
InChIKeyQFKONZPHHUUDDN-AWEZNQCLSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-trimethylazanium
CID 51859248
[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate
CID 165353807
3-[4-(N-[4-(2,3-dihydroxypropoxy)phenyl]-4-phenylanilino)phenoxy]propane-1,2-diol
CID 58892567
4-(3-bromo-2-hydroxypropoxy)benzonitrile
CID 100978622
benzyl-[2-hydroxy-3-(4-phenylphenoxy)propyl]-dimethylazanium
CID 91670455
(2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
CID 101048885
5-hydroxy-2-methyl-6-(4-phenylphenoxy)hex-1-en-3-one
CID 139744476
1-(butan-2-ylamino)-3-(4-phenylphenoxy)propan-2-ol
CID 44785149
[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-prop-2-ynylazanium
CID 2560126
1-(4-phenylphenoxy)-3-(prop-2-ynylamino)propan-2-ol
CID 4779843
(2S)-1-(4-phenylphenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 40793174
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385

Frequently Asked Questions

What is the IUPAC name of (2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol (CID 101048888) is (2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol is O[C@@H](CBr)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is QFKONZPHHUUDDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15BrO2/c16-10-14(17)11-18-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14,17H,10-11H2/t14-/m0/s1.
What are the key properties of (2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol?
(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 307.19 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 101048888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).