2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid

C16H15BrO3 — CID 105345017

IUPAC2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrO3/c17-15-3-1-2-14(8-15)11-20-10-13-6-4-12(5-7-13)9-16(18)19/h1-8H,9-11H2,(H,18,19)
InChIKeyLIRBZYXJRVWOMB-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.79
Rot. Bonds6

About 2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid

2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid (PubChem CID 105345017) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid
PubChem CID105345017
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(COCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H15BrO3/c17-15-3-1-2-14(8-15)11-20-10-13-6-4-12(5-7-13)9-16(18)19/h1-8H,9-11H2,(H,18,19)
InChIKeyLIRBZYXJRVWOMB-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345019
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
2-[2-[(3-bromophenyl)methoxy]phenyl]acetic acid
CID 80742211
1-[(3-bromophenyl)methoxy]-3,3-dimethylbutan-2-one
CID 82827323
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
CID 67395522
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
5-bromo-2-(phenylmethoxymethyl)benzoic acid
CID 102538116
4-[4-[(3-bromophenyl)methoxymethyl]phenyl]but-3-yn-1-ol
CID 82806536
3-[(3-bromophenyl)methoxy]-2-phenylpropanoic acid
CID 82825431
3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide
CID 102774451
2-[4-[2-(3-bromophenyl)ethylcarbamoylamino]phenyl]acetic acid
CID 108901676

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid (CID 105345017) is 2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid is O=C(O)Cc1ccc(COCc2cccc(Br)c2)cc1.
What is the InChIKey of 2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid?
The InChIKey is LIRBZYXJRVWOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c17-15-3-1-2-14(8-15)11-20-10-13-6-4-12(5-7-13)9-16(18)19/h1-8H,9-11H2,(H,18,19).
What are the key properties of 2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid?
2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid has a molecular weight of 335.20 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid is sourced from PubChem (CID 105345017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).