2-[3-(bromomethoxy)phenyl]acetic acid

C9H9BrO3 — CID 151200250

IUPAC2-[3-(bromomethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCBr)c1
InChIInChI=1S/C9H9BrO3/c10-6-13-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKeyNIDXZQFNGUXYOE-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.04
Rot. Bonds4

About 2-[3-(bromomethoxy)phenyl]acetic acid

2-[3-(bromomethoxy)phenyl]acetic acid (PubChem CID 151200250) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is 2-[3-(bromomethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(bromomethoxy)phenyl]acetic acid
PubChem CID151200250
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Name2-[3-(bromomethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCBr)c1
InChIInChI=1S/C9H9BrO3/c10-6-13-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKeyNIDXZQFNGUXYOE-UHFFFAOYSA-N
XLogP2.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
2-[3-(ethoxymethoxy)phenyl]acetic acid
CID 65364927
2-[3-(cyclopropylmethoxy)phenyl]acetic acid
CID 61398066
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
2-(3-octoxyphenyl)acetic acid
CID 11975056
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
2-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]acetic acid
CID 61398226
2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid
CID 63899374
2-(3-ethenoxyphenyl)acetic acid
CID 88995868
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
CID 106704428

Frequently Asked Questions

What is the IUPAC name of 2-[3-(bromomethoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(bromomethoxy)phenyl]acetic acid (CID 151200250) is 2-[3-(bromomethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(bromomethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(bromomethoxy)phenyl]acetic acid is O=C(O)Cc1cccc(OCBr)c1.
What is the InChIKey of 2-[3-(bromomethoxy)phenyl]acetic acid?
The InChIKey is NIDXZQFNGUXYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c10-6-13-8-3-1-2-7(4-8)5-9(11)12/h1-4H,5-6H2,(H,11,12).
What are the key properties of 2-[3-(bromomethoxy)phenyl]acetic acid?
2-[3-(bromomethoxy)phenyl]acetic acid has a molecular weight of 245.07 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(bromomethoxy)phenyl]acetic acid is sourced from PubChem (CID 151200250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).