1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane

C15H16Cl2O — CID 143444717

IUPAC1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
SMILESCC.ClCc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2O.C2H6/c14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12;1-2/h1-8H,9H2;1-2H3
InChIKeyREKUWKHZNJMLKL-UHFFFAOYSA-N
MW283.20 g/mol
LogP5.90
Rot. Bonds3

About 1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane

1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane (PubChem CID 143444717) has the molecular formula C15H16Cl2O and a molecular weight of 283.20 g/mol. Its IUPAC name is 1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane.

Molecular Properties

Compound Name1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
PubChem CID143444717
Molecular FormulaC15H16Cl2O
Molecular Weight283.20 g/mol
Exact Mass282.06
IUPAC Name1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
SMILESCC.ClCc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2O.C2H6/c14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12;1-2/h1-8H,9H2;1-2H3
InChIKeyREKUWKHZNJMLKL-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.20
LogP ≤ 55.90
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

1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
1-(chloromethyl)-2-(4-propoxyphenoxy)benzene
CID 28971293
1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one
CID 22998022
1,3-bis[2-(chloromethyl)phenoxy]benzene
CID 19038526
4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
CID 114846972
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
4-chloro-1-(chloromethyl)-2-(4-fluorophenoxy)benzene
CID 114846971
3-[2-(4-chlorophenoxy)phenyl]propanoic acid
CID 2764439
amino 2-[2-(4-chlorophenoxy)phenyl]acetate
CID 66824654
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
4-chloro-2-(chloromethyl)-1-(4-methylsulfonylphenoxy)benzene
CID 114847043

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane?
The IUPAC name of 1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane (CID 143444717) is 1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane.
What is the SMILES notation for 1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane?
The canonical SMILES for 1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane is CC.ClCc1ccccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane?
The InChIKey is REKUWKHZNJMLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O.C2H6/c14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12;1-2/h1-8H,9H2;1-2H3.
What are the key properties of 1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane?
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane has a molecular weight of 283.20 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane is sourced from PubChem (CID 143444717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).