[3-(3-bromophenoxy)-2-hydroxypropyl] formate

C10H11BrO4 — CID 89316807

IUPAC[3-(3-bromophenoxy)-2-hydroxypropyl] formate
SMILESO=COCC(O)COc1cccc(Br)c1
InChIInChI=1S/C10H11BrO4/c11-8-2-1-3-10(4-8)15-6-9(13)5-14-7-12/h1-4,7,9,13H,5-6H2
InChIKeyBUYUCMCVGJLGQR-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.36
Rot. Bonds6

About [3-(3-bromophenoxy)-2-hydroxypropyl] formate

[3-(3-bromophenoxy)-2-hydroxypropyl] formate (PubChem CID 89316807) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is [3-(3-bromophenoxy)-2-hydroxypropyl] formate.

Molecular Properties

Compound Name[3-(3-bromophenoxy)-2-hydroxypropyl] formate
PubChem CID89316807
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Name[3-(3-bromophenoxy)-2-hydroxypropyl] formate
SMILESO=COCC(O)COc1cccc(Br)c1
InChIInChI=1S/C10H11BrO4/c11-8-2-1-3-10(4-8)15-6-9(13)5-14-7-12/h1-4,7,9,13H,5-6H2
InChIKeyBUYUCMCVGJLGQR-UHFFFAOYSA-N
XLogP1.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromophenoxy)-3-hydroxybutanoic acid
CID 82093685
1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol
CID 62264936
(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
[3-(3-bromophenoxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 59017839
1-(3-bromophenoxy)-3-(but-2-ynylamino)propan-2-ol
CID 113464617
1-(3-bromophenoxy)-3-(octylamino)propan-2-ol
CID 115567734
3-[[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111894
(2-hydroxy-3-phenoxypropyl) 3-formyloxy-2-hydroxypropanoate
CID 163450025
1-(3-bromophenoxy)-3-(3-propan-2-yloxypropylamino)propan-2-ol
CID 4555054
1-(3-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454685
1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900116

Frequently Asked Questions

What is the IUPAC name of [3-(3-bromophenoxy)-2-hydroxypropyl] formate?
The IUPAC name of [3-(3-bromophenoxy)-2-hydroxypropyl] formate (CID 89316807) is [3-(3-bromophenoxy)-2-hydroxypropyl] formate.
What is the SMILES notation for [3-(3-bromophenoxy)-2-hydroxypropyl] formate?
The canonical SMILES for [3-(3-bromophenoxy)-2-hydroxypropyl] formate is O=COCC(O)COc1cccc(Br)c1.
What is the InChIKey of [3-(3-bromophenoxy)-2-hydroxypropyl] formate?
The InChIKey is BUYUCMCVGJLGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c11-8-2-1-3-10(4-8)15-6-9(13)5-14-7-12/h1-4,7,9,13H,5-6H2.
What are the key properties of [3-(3-bromophenoxy)-2-hydroxypropyl] formate?
[3-(3-bromophenoxy)-2-hydroxypropyl] formate has a molecular weight of 275.10 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromophenoxy)-2-hydroxypropyl] formate is sourced from PubChem (CID 89316807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).