2,4-dichloro-1-(trideuteriomethoxy)benzene

C7H6Cl2O — CID 141358841

IUPAC2,4-dichloro-1-(trideuteriomethoxy)benzene
SMILES[2H]C([2H])([2H])Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3/i1D3
InChIKeyCICQUFBZCADHHX-FIBGUPNXSA-N
MW180.05 g/mol
LogP3.00
Rot. Bonds2

About 2,4-dichloro-1-(trideuteriomethoxy)benzene

2,4-dichloro-1-(trideuteriomethoxy)benzene (PubChem CID 141358841) has the molecular formula C7H6Cl2O and a molecular weight of 180.05 g/mol. Its IUPAC name is 2,4-dichloro-1-(trideuteriomethoxy)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(trideuteriomethoxy)benzene
PubChem CID141358841
Molecular FormulaC7H6Cl2O
Molecular Weight180.05 g/mol
Exact Mass179.00
IUPAC Name2,4-dichloro-1-(trideuteriomethoxy)benzene
SMILES[2H]C([2H])([2H])Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3/i1D3
InChIKeyCICQUFBZCADHHX-FIBGUPNXSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-(trideuteriomethoxy)aniline
CID 87073671
2-(2,4-dichlorophenoxy)propan-2-amine
CID 56841846
N-(2,4-dichlorophenoxy)methanamine
CID 174617180
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526
(2,4-dichlorophenyl) methanimidate
CID 45091448
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
(3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium
CID 6333148
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-(trideuteriomethoxy)benzene?
The IUPAC name of 2,4-dichloro-1-(trideuteriomethoxy)benzene (CID 141358841) is 2,4-dichloro-1-(trideuteriomethoxy)benzene.
What is the SMILES notation for 2,4-dichloro-1-(trideuteriomethoxy)benzene?
The canonical SMILES for 2,4-dichloro-1-(trideuteriomethoxy)benzene is [2H]C([2H])([2H])Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(trideuteriomethoxy)benzene?
The InChIKey is CICQUFBZCADHHX-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H6Cl2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3/i1D3.
What are the key properties of 2,4-dichloro-1-(trideuteriomethoxy)benzene?
2,4-dichloro-1-(trideuteriomethoxy)benzene has a molecular weight of 180.05 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(trideuteriomethoxy)benzene is sourced from PubChem (CID 141358841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).