1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene

C17H19BrO3 — CID 65326137

IUPAC1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene
SMILESCOCCc1ccc(OCc2cc(OC)ccc2Br)cc1
InChIInChI=1S/C17H19BrO3/c1-19-10-9-13-3-5-15(6-4-13)21-12-14-11-16(20-2)7-8-17(14)18/h3-8,11H,9-10,12H2,1-2H3
InChIKeyMCOVNLRIWDPJJT-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.23
Rot. Bonds7

About 1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene

1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene (PubChem CID 65326137) has the molecular formula C17H19BrO3 and a molecular weight of 351.24 g/mol. Its IUPAC name is 1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene
PubChem CID65326137
Molecular FormulaC17H19BrO3
Molecular Weight351.24 g/mol
Exact Mass350.05
IUPAC Name1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene
SMILESCOCCc1ccc(OCc2cc(OC)ccc2Br)cc1
InChIInChI=1S/C17H19BrO3/c1-19-10-9-13-3-5-15(6-4-13)21-12-14-11-16(20-2)7-8-17(14)18/h3-8,11H,9-10,12H2,1-2H3
InChIKeyMCOVNLRIWDPJJT-UHFFFAOYSA-N
XLogP4.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[[4-(2-methoxyethyl)phenoxy]methyl]aniline
CID 60790726
1-bromo-4-methoxy-2-(2-methoxyethoxymethoxymethyl)benzene
CID 102273411
4-[(2-bromo-5-methoxyphenyl)methoxy]benzenesulfonyl chloride
CID 65324002
1-bromo-2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]-4-methoxybenzene
CID 65323171
[3,5-dibromo-4-[(2-bromo-5-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741569
1-bromo-2-[(2,6-dimethylphenoxy)methyl]-4-methoxybenzene
CID 65326131
4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluoroaniline
CID 65322368
3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 115582278
2,4-dichloro-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 116519425
[4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 65322781
1-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxynaphthalene
CID 22728210
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene?
The IUPAC name of 1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene (CID 65326137) is 1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene is COCCc1ccc(OCc2cc(OC)ccc2Br)cc1.
What is the InChIKey of 1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene?
The InChIKey is MCOVNLRIWDPJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO3/c1-19-10-9-13-3-5-15(6-4-13)21-12-14-11-16(20-2)7-8-17(14)18/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene?
1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene has a molecular weight of 351.24 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxy-2-[[4-(2-methoxyethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 65326137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).