methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate

C10H10BrFO3 — CID 79701348

IUPACmethyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate
SMILESCOC(=O)C(O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C10H10BrFO3/c1-15-10(14)9(13)4-6-2-7(11)5-8(12)3-6/h2-3,5,9,13H,4H2,1H3
InChIKeyBQBJOARBVLZUIA-UHFFFAOYSA-N
MW277.09 g/mol
LogP1.66
Rot. Bonds3

About methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate

methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate (PubChem CID 79701348) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate
PubChem CID79701348
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Namemethyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate
SMILESCOC(=O)C(O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C10H10BrFO3/c1-15-10(14)9(13)4-6-2-7(11)5-8(12)3-6/h2-3,5,9,13H,4H2,1H3
InChIKeyBQBJOARBVLZUIA-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxypropanoate
CID 69245767
[3-(3-bromo-5-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]-methoxy-methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium
CID 170056013
methyl (2S)-2-amino-3-(3,5-dibromophenyl)propanoate
CID 134210491
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
methyl (2R)-3-(3,5-dichloro-4-hydroxyphenyl)-2-hydroxypropanoate
CID 69130979
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678
methyl (2S)-3-(3,5-difluorophenyl)-2-(tritioamino)propanoate
CID 58759908
3-[(3-bromo-5-fluorophenyl)methyl]pentan-2-ol
CID 79709487
[1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274397
2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038
1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate (CID 79701348) is methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate is COC(=O)C(O)Cc1cc(F)cc(Br)c1.
What is the InChIKey of methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate?
The InChIKey is BQBJOARBVLZUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-15-10(14)9(13)4-6-2-7(11)5-8(12)3-6/h2-3,5,9,13H,4H2,1H3.
What are the key properties of methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate?
methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate has a molecular weight of 277.09 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate is sourced from PubChem (CID 79701348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).