1-chloro-2-(trideuteriomethoxy)benzene

C7H7ClO — CID 162343627

IUPAC1-chloro-2-(trideuteriomethoxy)benzene
SMILES[2H]C([2H])([2H])Oc1ccccc1Cl
InChIInChI=1S/C7H7ClO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3/i1D3
InChIKeyQGRPVMLBTFGQDQ-FIBGUPNXSA-N
MW145.60 g/mol
LogP2.35
Rot. Bonds2

About 1-chloro-2-(trideuteriomethoxy)benzene

1-chloro-2-(trideuteriomethoxy)benzene (PubChem CID 162343627) has the molecular formula C7H7ClO and a molecular weight of 145.60 g/mol. Its IUPAC name is 1-chloro-2-(trideuteriomethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-(trideuteriomethoxy)benzene
PubChem CID162343627
Molecular FormulaC7H7ClO
Molecular Weight145.60 g/mol
Exact Mass145.04
IUPAC Name1-chloro-2-(trideuteriomethoxy)benzene
SMILES[2H]C([2H])([2H])Oc1ccccc1Cl
InChIInChI=1S/C7H7ClO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3/i1D3
InChIKeyQGRPVMLBTFGQDQ-FIBGUPNXSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.60
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-methoxybenzene
CID 13011
2-(trideuteriomethoxy)aniline;hydrochloride
CID 102565201
(2-chlorophenyl) dihydrogen phosphite
CID 22639248
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
phenyl-[2-(trideuteriomethoxy)phenyl]methanol
CID 101015641
1-(2-chlorophenoxy)ethanethiol
CID 147588927
1-chloro-2-(dichloroamino)oxybenzene
CID 174531123
[(2,3-dichlorophenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105191174
1-methyl-4-(trideuteriomethoxy)naphthalene
CID 101106578
azane;1-chloro-2-phenoxybenzene
CID 68980819
2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
CID 2283961
(2-chlorophenyl) ethaneperoxoate
CID 23043492

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(trideuteriomethoxy)benzene?
The IUPAC name of 1-chloro-2-(trideuteriomethoxy)benzene (CID 162343627) is 1-chloro-2-(trideuteriomethoxy)benzene.
What is the SMILES notation for 1-chloro-2-(trideuteriomethoxy)benzene?
The canonical SMILES for 1-chloro-2-(trideuteriomethoxy)benzene is [2H]C([2H])([2H])Oc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(trideuteriomethoxy)benzene?
The InChIKey is QGRPVMLBTFGQDQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H7ClO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3/i1D3.
What are the key properties of 1-chloro-2-(trideuteriomethoxy)benzene?
1-chloro-2-(trideuteriomethoxy)benzene has a molecular weight of 145.60 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(trideuteriomethoxy)benzene is sourced from PubChem (CID 162343627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).