1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene

C18H20Cl2O — CID 67069225

IUPAC1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene
SMILESCCc1ccc(CC)c(OCc2c(Cl)cccc2CCl)c1
InChIInChI=1S/C18H20Cl2O/c1-3-13-8-9-14(4-2)18(10-13)21-12-16-15(11-19)6-5-7-17(16)20/h5-10H,3-4,11-12H2,1-2H3
InChIKeyLQUVTQKNEKHERJ-UHFFFAOYSA-N
MW323.26 g/mol
LogP5.78
Rot. Bonds6

About 1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene

1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene (PubChem CID 67069225) has the molecular formula C18H20Cl2O and a molecular weight of 323.26 g/mol. Its IUPAC name is 1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene
PubChem CID67069225
Molecular FormulaC18H20Cl2O
Molecular Weight323.26 g/mol
Exact Mass322.09
IUPAC Name1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene
SMILESCCc1ccc(CC)c(OCc2c(Cl)cccc2CCl)c1
InChIInChI=1S/C18H20Cl2O/c1-3-13-8-9-14(4-2)18(10-13)21-12-16-15(11-19)6-5-7-17(16)20/h5-10H,3-4,11-12H2,1-2H3
InChIKeyLQUVTQKNEKHERJ-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.26
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
CID 67069193
2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde
CID 87530656
2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
CID 67069151
3-chloro-2-[(4-ethyl-2-methoxyphenoxy)methyl]aniline
CID 107663983
2-[(2,4-diethylphenoxy)methyl]-3-ethylphenol
CID 122626793
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
[2-[(2-bromo-4-ethylphenoxy)methyl]-3-chlorophenyl] propanoate
CID 122649991
[3-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] methyl carbonate
CID 122649377
S-[3-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] ethanethioate
CID 122650100
1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
[3-chloro-2-[(2-cyclopropyl-4-ethylphenoxy)methyl]phenyl] propanoate
CID 122649036
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene?
The IUPAC name of 1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene (CID 67069225) is 1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene.
What is the SMILES notation for 1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene?
The canonical SMILES for 1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene is CCc1ccc(CC)c(OCc2c(Cl)cccc2CCl)c1.
What is the InChIKey of 1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene?
The InChIKey is LQUVTQKNEKHERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O/c1-3-13-8-9-14(4-2)18(10-13)21-12-16-15(11-19)6-5-7-17(16)20/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of 1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene?
1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene has a molecular weight of 323.26 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene is sourced from PubChem (CID 67069225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).