(2S)-2-[(3-bromophenyl)methoxy]propanoic acid

C10H11BrO3 — CID 104875834

IUPAC(2S)-2-[(3-bromophenyl)methoxy]propanoic acid
SMILESC[C@H](OCc1cccc(Br)c1)C(=O)O
InChIInChI=1S/C10H11BrO3/c1-7(10(12)13)14-6-8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyDTAYCWZGIBHILX-ZETCQYMHSA-N
MW259.10 g/mol
LogP2.44
Rot. Bonds4

About (2S)-2-[(3-bromophenyl)methoxy]propanoic acid

(2S)-2-[(3-bromophenyl)methoxy]propanoic acid (PubChem CID 104875834) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is (2S)-2-[(3-bromophenyl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-bromophenyl)methoxy]propanoic acid
PubChem CID104875834
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name(2S)-2-[(3-bromophenyl)methoxy]propanoic acid
SMILESC[C@H](OCc1cccc(Br)c1)C(=O)O
InChIInChI=1S/C10H11BrO3/c1-7(10(12)13)14-6-8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyDTAYCWZGIBHILX-ZETCQYMHSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methoxy]propanoic acid
CID 82828681
(2R)-2-[(3-hydroxyphenyl)methoxy]propanoic acid
CID 104875246
ethyl 2-[(3-bromophenyl)methoxy]propanoate
CID 82827861
2-[(3-bromophenyl)methoxy]-2-phenylacetic acid
CID 82827786
4-[(3-bromophenyl)methoxy]pentan-2-one
CID 82826907
3-(3-bromophenyl)-2-phenylmethoxypropanoic acid
CID 133245426
(2S)-2-[(5-bromothiophen-3-yl)methoxy]propanoic acid
CID 104876000
(2R)-2-[(4-phenylphenyl)methoxy]propanoic acid
CID 104875216
(2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid
CID 104876281
1-(3-bromophenyl)-3-propan-2-yloxypropan-2-one
CID 79566730
(3-bromophenyl)methyl (2R)-2-aminobutanoate
CID 82823732
3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid
CID 82825431

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-bromophenyl)methoxy]propanoic acid?
The IUPAC name of (2S)-2-[(3-bromophenyl)methoxy]propanoic acid (CID 104875834) is (2S)-2-[(3-bromophenyl)methoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-bromophenyl)methoxy]propanoic acid?
The canonical SMILES for (2S)-2-[(3-bromophenyl)methoxy]propanoic acid is C[C@H](OCc1cccc(Br)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(3-bromophenyl)methoxy]propanoic acid?
The InChIKey is DTAYCWZGIBHILX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-7(10(12)13)14-6-8-3-2-4-9(11)5-8/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3-bromophenyl)methoxy]propanoic acid?
(2S)-2-[(3-bromophenyl)methoxy]propanoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-bromophenyl)methoxy]propanoic acid is sourced from PubChem (CID 104875834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).