4-(3-bromophenoxy)-3-hydroxybutanoic acid

C10H11BrO4 — CID 82093685

IUPAC4-(3-bromophenoxy)-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)COc1cccc(Br)c1
InChIInChI=1S/C10H11BrO4/c11-7-2-1-3-9(4-7)15-6-8(12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKeySRRCCJOTBDXAJT-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.66
Rot. Bonds5

About 4-(3-bromophenoxy)-3-hydroxybutanoic acid

4-(3-bromophenoxy)-3-hydroxybutanoic acid (PubChem CID 82093685) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(3-bromophenoxy)-3-hydroxybutanoic acid
PubChem CID82093685
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Name4-(3-bromophenoxy)-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)COc1cccc(Br)c1
InChIInChI=1S/C10H11BrO4/c11-7-2-1-3-9(4-7)15-6-8(12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14)
InChIKeySRRCCJOTBDXAJT-UHFFFAOYSA-N
XLogP1.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-bromophenoxy)-2-hydroxypropyl] formate
CID 89316807
(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241
1-(4-aminophenoxy)-3-(3-bromophenoxy)propan-2-ol
CID 62264936
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464656
2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913988
methyl 2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910386
1-(3-bromophenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63867364
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
[3-(3-bromophenoxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 59017839
3-(3-bromophenoxy)-2-ethoxypropanoic acid
CID 63074820
2-[3-(3-bromophenoxy)propanoylamino]butanedioic acid
CID 78910189
tert-butyl N-[(2R)-3-(3-bromophenoxy)-2-hydroxypropyl]-N-methylcarbamate
CID 90426747

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-3-hydroxybutanoic acid?
The IUPAC name of 4-(3-bromophenoxy)-3-hydroxybutanoic acid (CID 82093685) is 4-(3-bromophenoxy)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(3-bromophenoxy)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(3-bromophenoxy)-3-hydroxybutanoic acid is O=C(O)CC(O)COc1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenoxy)-3-hydroxybutanoic acid?
The InChIKey is SRRCCJOTBDXAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c11-7-2-1-3-9(4-7)15-6-8(12)5-10(13)14/h1-4,8,12H,5-6H2,(H,13,14).
What are the key properties of 4-(3-bromophenoxy)-3-hydroxybutanoic acid?
4-(3-bromophenoxy)-3-hydroxybutanoic acid has a molecular weight of 275.10 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-3-hydroxybutanoic acid is sourced from PubChem (CID 82093685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).