2-(3-bromophenoxy)acetic acid

C8H7BrO3 — CID 702285

IUPAC2-(3-bromophenoxy)acetic acid
SMILESO=C(O)COc1cccc(Br)c1
InChIInChI=1S/C8H7BrO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyCRKQPDCSWOJBJY-UHFFFAOYSA-N
MW231.04 g/mol
LogP1.91
Rot. Bonds3

About 2-(3-bromophenoxy)acetic acid

2-(3-bromophenoxy)acetic acid (PubChem CID 702285) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is 2-(3-bromophenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-bromophenoxy)acetic acid
PubChem CID702285
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name2-(3-bromophenoxy)acetic acid
SMILESO=C(O)COc1cccc(Br)c1
InChIInChI=1S/C8H7BrO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyCRKQPDCSWOJBJY-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)acetic acid?
The IUPAC name of 2-(3-bromophenoxy)acetic acid (CID 702285) is 2-(3-bromophenoxy)acetic acid.
What is the SMILES notation for 2-(3-bromophenoxy)acetic acid?
The canonical SMILES for 2-(3-bromophenoxy)acetic acid is O=C(O)COc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)acetic acid?
The InChIKey is CRKQPDCSWOJBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(3-bromophenoxy)acetic acid?
2-(3-bromophenoxy)acetic acid has a molecular weight of 231.04 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)acetic acid is sourced from PubChem (CID 702285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).