2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene

C18H20Cl2O — CID 67069151

IUPAC2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
SMILESCCc1ccc(CC)c(OCc2ccc(Cl)cc2CCl)c1
InChIInChI=1S/C18H20Cl2O/c1-3-13-5-6-14(4-2)18(9-13)21-12-15-7-8-17(20)10-16(15)11-19/h5-10H,3-4,11-12H2,1-2H3
InChIKeyYKOHHOADNZIJCK-UHFFFAOYSA-N
MW323.26 g/mol
LogP5.78
Rot. Bonds6

About 2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene

2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene (PubChem CID 67069151) has the molecular formula C18H20Cl2O and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene.

Molecular Properties

Compound Name2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
PubChem CID67069151
Molecular FormulaC18H20Cl2O
Molecular Weight323.26 g/mol
Exact Mass322.09
IUPAC Name2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene
SMILESCCc1ccc(CC)c(OCc2ccc(Cl)cc2CCl)c1
InChIInChI=1S/C18H20Cl2O/c1-3-13-5-6-14(4-2)18(9-13)21-12-15-7-8-17(20)10-16(15)11-19/h5-10H,3-4,11-12H2,1-2H3
InChIKeyYKOHHOADNZIJCK-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
1-chloro-3-(chloromethyl)-2-[(2,5-diethylphenoxy)methyl]benzene
CID 67069225
[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 114322356
2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde
CID 87530656
5-[(4-chloro-2-ethylphenoxy)methyl]-2-ethylphenol
CID 12708586
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide
CID 126589418
N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126589113
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene
CID 107691124
1-[[4-(bromomethyl)-2-ethoxyphenoxy]methyl]-2,4-dichlorobenzene
CID 43324659
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 103046919

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene?
The IUPAC name of 2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene (CID 67069151) is 2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene.
What is the SMILES notation for 2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene?
The canonical SMILES for 2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene is CCc1ccc(CC)c(OCc2ccc(Cl)cc2CCl)c1.
What is the InChIKey of 2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene?
The InChIKey is YKOHHOADNZIJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2O/c1-3-13-5-6-14(4-2)18(9-13)21-12-15-7-8-17(20)10-16(15)11-19/h5-10H,3-4,11-12H2,1-2H3.
What are the key properties of 2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene?
2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene 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 2-[[4-chloro-2-(chloromethyl)phenyl]methoxy]-1,4-diethylbenzene is sourced from PubChem (CID 67069151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).