2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid

C16H15BrO4 — CID 104637856

IUPAC2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid
SMILESCOc1cccc(Br)c1OCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H15BrO4/c1-20-14-4-2-3-13(17)16(14)21-10-12-7-5-11(6-8-12)9-15(18)19/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyDVRZVNMKGYNQNY-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.66
Rot. Bonds6

About 2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid

2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid (PubChem CID 104637856) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid
PubChem CID104637856
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Name2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid
SMILESCOc1cccc(Br)c1OCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H15BrO4/c1-20-14-4-2-3-13(17)16(14)21-10-12-7-5-11(6-8-12)9-15(18)19/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeyDVRZVNMKGYNQNY-UHFFFAOYSA-N
XLogP3.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-bromo-3-methoxyphenoxy)methyl]phenyl]acetic acid
CID 20986298
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
CID 83141041
3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide
CID 83137082
2-bromo-5-methoxy-1-phenylmethoxynaphthalene
CID 10904008
1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one
CID 107508214
4-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20987474
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
2-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 61379650
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 61391527
3-bromo-2-[(4-iodophenyl)methoxy]benzoic acid
CID 65478431

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid (CID 104637856) is 2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid is COc1cccc(Br)c1OCc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid?
The InChIKey is DVRZVNMKGYNQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c1-20-14-4-2-3-13(17)16(14)21-10-12-7-5-11(6-8-12)9-15(18)19/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid?
2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid has a molecular weight of 351.20 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 104637856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).