2-(2-bromophenoxy)butanoic acid

C10H11BrO3 — CID 18786119

IUPAC2-(2-bromophenoxy)butanoic acid
SMILESCCC(Oc1ccccc1Br)C(=O)O
InChIInChI=1S/C10H11BrO3/c1-2-8(10(12)13)14-9-6-4-3-5-7(9)11/h3-6,8H,2H2,1H3,(H,12,13)
InChIKeyLQLWBMJHJRCPMR-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-bromophenoxy)butanoic acid

2-(2-bromophenoxy)butanoic acid (PubChem CID 18786119) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(2-bromophenoxy)butanoic acid.

Molecular Properties

Compound Name2-(2-bromophenoxy)butanoic acid
PubChem CID18786119
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-(2-bromophenoxy)butanoic acid
SMILESCCC(Oc1ccccc1Br)C(=O)O
InChIInChI=1S/C10H11BrO3/c1-2-8(10(12)13)14-9-6-4-3-5-7(9)11/h3-6,8H,2H2,1H3,(H,12,13)
InChIKeyLQLWBMJHJRCPMR-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
3-bromo-4-(1-carboxypropoxy)benzoic acid
CID 64662563
2-(4-bromo-2,3-dimethylphenoxy)butanoic acid
CID 69202867
2-[2-[(1R)-1-aminoethyl]phenoxy]butanoic acid
CID 78996826
1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene
CID 69347469
2-[2-(2-aminobutyl)phenoxy]butanoic acid
CID 64661989
2-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119224224
2-(2-bromophenoxy)-2-fluoroacetic acid
CID 79356837
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
2-[4-(2-aminobutyl)-2-bromophenoxy]butanoic acid
CID 64662793
2-(2-bromo-4-chlorophenoxy)-1-phenylbutan-1-one
CID 63566899
(2S)-2-(4-bromophenoxy)butanoic acid
CID 7832525

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)butanoic acid?
The IUPAC name of 2-(2-bromophenoxy)butanoic acid (CID 18786119) is 2-(2-bromophenoxy)butanoic acid.
What is the SMILES notation for 2-(2-bromophenoxy)butanoic acid?
The canonical SMILES for 2-(2-bromophenoxy)butanoic acid is CCC(Oc1ccccc1Br)C(=O)O.
What is the InChIKey of 2-(2-bromophenoxy)butanoic acid?
The InChIKey is LQLWBMJHJRCPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-2-8(10(12)13)14-9-6-4-3-5-7(9)11/h3-6,8H,2H2,1H3,(H,12,13).
What are the key properties of 2-(2-bromophenoxy)butanoic acid?
2-(2-bromophenoxy)butanoic acid has a molecular weight of 259.10 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)butanoic acid is sourced from PubChem (CID 18786119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).