methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate

C16H15BrO4 — CID 60673471

IUPACmethyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C16H15BrO4/c1-19-15-8-3-11(9-14(15)17)10-21-13-6-4-12(5-7-13)16(18)20-2/h3-9H,10H2,1-2H3
InChIKeyMVUNIBPAKMCHGI-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.82
Rot. Bonds5

About methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate

methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate (PubChem CID 60673471) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
PubChem CID60673471
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Namemethyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C16H15BrO4/c1-19-15-8-3-11(9-14(15)17)10-21-13-6-4-12(5-7-13)16(18)20-2/h3-9H,10H2,1-2H3
InChIKeyMVUNIBPAKMCHGI-UHFFFAOYSA-N
XLogP3.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3,4-dimethoxyphenyl)methoxy]benzoate
CID 15186062
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
CID 9019523
methyl 4-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 23631878
4-[(3-bromo-4-methoxyphenyl)methoxy]-3-methoxybenzoic acid
CID 45397817
3-[(3-bromo-4-methoxyphenyl)methoxy]benzoic acid
CID 45286749
2-bromo-1-methoxy-4-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60673925
(1R)-1-[4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78933056
3-bromo-N'-(4-ethoxybenzoyl)-4-methoxybenzohydrazide
CID 4948726
methyl 4-[(4-propanoylphenoxy)methyl]benzoate
CID 877977
methyl 4-[[4-(methylaminomethyl)phenoxy]methyl]benzoate
CID 60880616
methyl 4-[[4-[(2R)-2-bromopropanoyl]phenoxy]methyl]benzoate
CID 97161564

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate?
The IUPAC name of methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate (CID 60673471) is methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate.
What is the SMILES notation for methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate?
The canonical SMILES for methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate is COC(=O)c1ccc(OCc2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate?
The InChIKey is MVUNIBPAKMCHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c1-19-15-8-3-11(9-14(15)17)10-21-13-6-4-12(5-7-13)16(18)20-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate?
methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate has a molecular weight of 351.20 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate is sourced from PubChem (CID 60673471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).