1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene

C16H16Cl2O2 — CID 115956557

IUPAC1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene
SMILESCOc1ccc(C)cc1COc1c(Cl)cccc1CCl
InChIInChI=1S/C16H16Cl2O2/c1-11-6-7-15(19-2)13(8-11)10-20-16-12(9-17)4-3-5-14(16)18/h3-8H,9-10H2,1-2H3
InChIKeyVDEIDVIMTUCLMQ-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.97
Rot. Bonds5

About 1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene

1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene (PubChem CID 115956557) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene
PubChem CID115956557
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene
SMILESCOc1ccc(C)cc1COc1c(Cl)cccc1CCl
InChIInChI=1S/C16H16Cl2O2/c1-11-6-7-15(19-2)13(8-11)10-20-16-12(9-17)4-3-5-14(16)18/h3-8H,9-10H2,1-2H3
InChIKeyVDEIDVIMTUCLMQ-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
[3-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951928
1-(bromomethyl)-3-chloro-2-[(2,5-dimethylphenyl)methoxy]benzene
CID 112613816
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine
CID 103173382
[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 112612839
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]naphthalene
CID 63536076
5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene
CID 107306943
2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 115957754
1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 103047074
2-[(2-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64766047
3-[(2-methoxy-5-methylphenyl)methoxy]phenol
CID 62159960
2-fluoro-1-[(2-methoxy-5-methylphenyl)methoxy]-3-methylbenzene
CID 107662038

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene?
The IUPAC name of 1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene (CID 115956557) is 1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene.
What is the SMILES notation for 1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene?
The canonical SMILES for 1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene is COc1ccc(C)cc1COc1c(Cl)cccc1CCl.
What is the InChIKey of 1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene?
The InChIKey is VDEIDVIMTUCLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-11-6-7-15(19-2)13(8-11)10-20-16-12(9-17)4-3-5-14(16)18/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene?
1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene has a molecular weight of 311.21 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene is sourced from PubChem (CID 115956557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).