2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene

C16H16BrClO3 — CID 114320878

IUPAC2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene
SMILESCOc1ccc(OCCOc2cccc(Cl)c2CBr)cc1
InChIInChI=1S/C16H16BrClO3/c1-19-12-5-7-13(8-6-12)20-9-10-21-16-4-2-3-15(18)14(16)11-17/h2-8H,9-11H2,1H3
InChIKeyPLXBGZCJTXUXDC-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.70
Rot. Bonds7

About 2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene

2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene (PubChem CID 114320878) has the molecular formula C16H16BrClO3 and a molecular weight of 371.66 g/mol. Its IUPAC name is 2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene
PubChem CID114320878
Molecular FormulaC16H16BrClO3
Molecular Weight371.66 g/mol
Exact Mass370.00
IUPAC Name2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene
SMILESCOc1ccc(OCCOc2cccc(Cl)c2CBr)cc1
InChIInChI=1S/C16H16BrClO3/c1-19-12-5-7-13(8-6-12)20-9-10-21-16-4-2-3-15(18)14(16)11-17/h2-8H,9-11H2,1H3
InChIKeyPLXBGZCJTXUXDC-UHFFFAOYSA-N
XLogP4.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-4-methoxybenzene
CID 114321028
2-(bromomethyl)-1-chloro-3-(3-methylsulfonylpropoxy)benzene
CID 114320876
2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine
CID 114321645
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine
CID 62047657
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
2-(bromomethyl)-1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 113277003
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 114321006
1,3-bis(2-fluoroethoxy)-2-[(4-methoxyphenoxy)methyl]benzene
CID 134092285
2-amino-3-[2-(4-methoxyphenoxy)ethoxy]phenol
CID 114764222
2-(bromomethyl)-3-chloro-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 107081024
3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 62057318

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene?
The IUPAC name of 2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene (CID 114320878) is 2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene.
What is the SMILES notation for 2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene?
The canonical SMILES for 2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene is COc1ccc(OCCOc2cccc(Cl)c2CBr)cc1.
What is the InChIKey of 2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene?
The InChIKey is PLXBGZCJTXUXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO3/c1-19-12-5-7-13(8-6-12)20-9-10-21-16-4-2-3-15(18)14(16)11-17/h2-8H,9-11H2,1H3.
What are the key properties of 2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene?
2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene has a molecular weight of 371.66 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene is sourced from PubChem (CID 114320878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).