methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate

C17H17BrO4 — CID 118619110

IUPACmethyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1cc(OC)cc(C)c1Br
InChIInChI=1S/C17H17BrO4/c1-11-8-13(20-2)9-12(16(11)18)10-22-15-7-5-4-6-14(15)17(19)21-3/h4-9H,10H2,1-3H3
InChIKeyGJSFYFVELUXIFX-UHFFFAOYSA-N
MW365.22 g/mol
LogP4.13
Rot. Bonds5

About methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate

methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate (PubChem CID 118619110) has the molecular formula C17H17BrO4 and a molecular weight of 365.22 g/mol. Its IUPAC name is methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate
PubChem CID118619110
Molecular FormulaC17H17BrO4
Molecular Weight365.22 g/mol
Exact Mass364.03
IUPAC Namemethyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1cc(OC)cc(C)c1Br
InChIInChI=1S/C17H17BrO4/c1-11-8-13(20-2)9-12(16(11)18)10-22-15-7-5-4-6-14(15)17(19)21-3/h4-9H,10H2,1-3H3
InChIKeyGJSFYFVELUXIFX-UHFFFAOYSA-N
XLogP4.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
methyl 2-[(2-methoxyphenoxy)methyl]benzoate
CID 82975589
methyl 2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]-4-methoxybenzoate
CID 16563809
methyl 2-[(2-chlorophenyl)methoxy]-4-methoxybenzoate
CID 25235977
methyl 2-[(2-bromo-4-methylphenoxy)methyl]benzoate
CID 82976395
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoic acid
CID 22687325
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzamide
CID 107723488
methyl 2-[(2-cyanophenyl)methoxy]-4-methoxybenzoate
CID 26676915

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate?
The IUPAC name of methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate (CID 118619110) is methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate?
The canonical SMILES for methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate is COC(=O)c1ccccc1OCc1cc(OC)cc(C)c1Br.
What is the InChIKey of methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate?
The InChIKey is GJSFYFVELUXIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO4/c1-11-8-13(20-2)9-12(16(11)18)10-22-15-7-5-4-6-14(15)17(19)21-3/h4-9H,10H2,1-3H3.
What are the key properties of methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate?
methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate has a molecular weight of 365.22 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromo-5-methoxy-3-methylphenyl)methoxy]benzoate is sourced from PubChem (CID 118619110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).