2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene

C15H22Cl2O — CID 55224763

IUPAC2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene
SMILESCCCCC(CC)COc1ccc(CCl)cc1Cl
InChIInChI=1S/C15H22Cl2O/c1-3-5-6-12(4-2)11-18-15-8-7-13(10-16)9-14(15)17/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyDTPRMQRRBAXITE-UHFFFAOYSA-N
MW289.25 g/mol
LogP5.67
Rot. Bonds8

About 2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene

2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene (PubChem CID 55224763) has the molecular formula C15H22Cl2O and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene
PubChem CID55224763
Molecular FormulaC15H22Cl2O
Molecular Weight289.25 g/mol
Exact Mass288.10
IUPAC Name2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene
SMILESCCCCC(CC)COc1ccc(CCl)cc1Cl
InChIInChI=1S/C15H22Cl2O/c1-3-5-6-12(4-2)11-18-15-8-7-13(10-16)9-14(15)17/h7-9,12H,3-6,10-11H2,1-2H3
InChIKeyDTPRMQRRBAXITE-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.25
LogP ≤ 55.67
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

[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
4-(chloromethyl)-1-(2-ethylbutoxy)-2-fluorobenzene
CID 107691391
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene
CID 79887959
1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine
CID 63499413
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
2-chloro-4-(2-ethylhexoxy)benzonitrile
CID 63510721
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
[(2R)-2-ethylhexyl] 2-(2,4-dichlorophenoxy)acetate
CID 86308559
1-(chloromethyl)-2-(2-ethylhexoxy)-4-propoxybenzene
CID 63534849
[4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63484790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene?
The IUPAC name of 2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene (CID 55224763) is 2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene?
The canonical SMILES for 2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene is CCCCC(CC)COc1ccc(CCl)cc1Cl.
What is the InChIKey of 2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene?
The InChIKey is DTPRMQRRBAXITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2O/c1-3-5-6-12(4-2)11-18-15-8-7-13(10-16)9-14(15)17/h7-9,12H,3-6,10-11H2,1-2H3.
What are the key properties of 2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene?
2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene has a molecular weight of 289.25 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene is sourced from PubChem (CID 55224763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).