1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene

C8H8Cl2O — CID 176829062

IUPAC1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene
SMILES[2H]C([2H])(OC)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2O/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3/i5D2
InChIKeyQBKBHXIQLAMKOB-BFWBPSQCSA-N
MW193.07 g/mol
LogP3.14
Rot. Bonds2

About 1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene

1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene (PubChem CID 176829062) has the molecular formula C8H8Cl2O and a molecular weight of 193.07 g/mol. Its IUPAC name is 1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene
PubChem CID176829062
Molecular FormulaC8H8Cl2O
Molecular Weight193.07 g/mol
Exact Mass192.01
IUPAC Name1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene
SMILES[2H]C([2H])(OC)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H8Cl2O/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3/i5D2
InChIKeyQBKBHXIQLAMKOB-BFWBPSQCSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-[dideuterio(methoxy)methyl]-3-(trifluoromethyl)benzene
CID 176829052
1-(2,6-dichlorophenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622775
1-(2,6-dichlorophenyl)-4-methoxybutan-2-one
CID 62620067
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
N-[(2,6-dichlorophenyl)methyl]-N-methylethanamine
CID 60516634
4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine
CID 62319957
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
1-chloro-3-fluoro-2-(methoxymethoxy)benzene
CID 131130632
N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine
CID 170043449
2-bromo-1-chloro-3-(methoxymethoxy)benzene
CID 164894389
N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
CID 43677929

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene?
The IUPAC name of 1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene (CID 176829062) is 1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene is [2H]C([2H])(OC)c1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene?
The InChIKey is QBKBHXIQLAMKOB-BFWBPSQCSA-N. The full InChI is InChI=1S/C8H8Cl2O/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3/i5D2.
What are the key properties of 1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene?
1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene has a molecular weight of 193.07 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[dideuterio(methoxy)methyl]benzene is sourced from PubChem (CID 176829062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).