[1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate

C10H11BrO3 — CID 142779505

IUPAC[1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate
SMILESCC(OC=O)C(O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO3/c1-7(14-6-12)10(13)8-2-4-9(11)5-3-8/h2-7,10,13H,1H3
InChIKeyAVDOJMPGVHHCNG-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.04
Rot. Bonds4

About [1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate

[1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate (PubChem CID 142779505) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is [1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate.

Molecular Properties

Compound Name[1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate
PubChem CID142779505
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name[1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate
SMILESCC(OC=O)C(O)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO3/c1-7(14-6-12)10(13)8-2-4-9(11)5-3-8/h2-7,10,13H,1H3
InChIKeyAVDOJMPGVHHCNG-UHFFFAOYSA-N
XLogP2.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
(3R,4S)-4-(4-bromophenyl)-4-hydroxy-3-methylbutan-2-one
CID 129404262
1-(4-bromophenyl)-2-methylbut-3-en-1-ol
CID 14111207
(2R)-2-(4-bromophenyl)propanal
CID 39243198
methyl (2R,3S)-2-amino-3-(4-bromophenyl)-3-hydroxypropanoate
CID 14314190
(1S,2R)-1-(4-bromophenyl)-2-(4-methoxyphenyl)but-3-en-1-ol
CID 101336331
methyl (2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylpropanoate
CID 72545735
2-(4-bromophenyl)propanal;ethane-1,2-diol
CID 175448284
tert-butyl N-[(1S,2R)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]carbamate
CID 170565111
3-(1H-pyrrol-3-yl)butan-2-yl formate
CID 174582607
ethane;methyl 3-(4-bromophenyl)-2-methylbutanoate
CID 142474459
3-(4-bromophenyl)butan-2-yl carbamate
CID 140617164

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate?
The IUPAC name of [1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate (CID 142779505) is [1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate.
What is the SMILES notation for [1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate?
The canonical SMILES for [1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate is CC(OC=O)C(O)c1ccc(Br)cc1.
What is the InChIKey of [1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate?
The InChIKey is AVDOJMPGVHHCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-7(14-6-12)10(13)8-2-4-9(11)5-3-8/h2-7,10,13H,1H3.
What are the key properties of [1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate?
[1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate has a molecular weight of 259.10 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-1-hydroxypropan-2-yl] formate is sourced from PubChem (CID 142779505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).