3-(2-bromophenyl)-3-methoxypropanoic acid

C10H11BrO3 — CID 83844316

IUPAC3-(2-bromophenyl)-3-methoxypropanoic acid
SMILESCOC(CC(=O)O)c1ccccc1Br
InChIInChI=1S/C10H11BrO3/c1-14-9(6-10(12)13)7-4-2-3-5-8(7)11/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyKKLWONBBFLLALV-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.61
Rot. Bonds4

About 3-(2-bromophenyl)-3-methoxypropanoic acid

3-(2-bromophenyl)-3-methoxypropanoic acid (PubChem CID 83844316) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-(2-bromophenyl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name3-(2-bromophenyl)-3-methoxypropanoic acid
PubChem CID83844316
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name3-(2-bromophenyl)-3-methoxypropanoic acid
SMILESCOC(CC(=O)O)c1ccccc1Br
InChIInChI=1S/C10H11BrO3/c1-14-9(6-10(12)13)7-4-2-3-5-8(7)11/h2-5,9H,6H2,1H3,(H,12,13)
InChIKeyKKLWONBBFLLALV-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-3-phenylpropanoic acid
CID 13379217
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
2-(2-bromophenyl)-2-methoxy-N-methylethanamine
CID 62106932
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]butanoic acid
CID 81383676
3-(2-bromophenyl)-3-cyanopropanoic acid
CID 82298706
3-(2-bromophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82135174
3-amino-3-[2-(1,2-dimethoxyethyl)phenyl]propanoic acid
CID 117385801
1-bromo-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene
CID 156764357
(3S)-3-(2-fluorophenyl)-3-methoxy-1-phenylpropan-1-one
CID 102007024
3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide
CID 164892784
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
4-[(2-bromobenzoyl)amino]-3-methoxybutanoic acid
CID 103153060

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-3-methoxypropanoic acid?
The IUPAC name of 3-(2-bromophenyl)-3-methoxypropanoic acid (CID 83844316) is 3-(2-bromophenyl)-3-methoxypropanoic acid.
What is the SMILES notation for 3-(2-bromophenyl)-3-methoxypropanoic acid?
The canonical SMILES for 3-(2-bromophenyl)-3-methoxypropanoic acid is COC(CC(=O)O)c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-3-methoxypropanoic acid?
The InChIKey is KKLWONBBFLLALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-14-9(6-10(12)13)7-4-2-3-5-8(7)11/h2-5,9H,6H2,1H3,(H,12,13).
What are the key properties of 3-(2-bromophenyl)-3-methoxypropanoic acid?
3-(2-bromophenyl)-3-methoxypropanoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-3-methoxypropanoic acid is sourced from PubChem (CID 83844316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).