1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene

C10H12Cl2O3 — CID 66224051

IUPAC1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene
SMILESCOC(COc1c(Cl)cccc1Cl)OC
InChIInChI=1S/C10H12Cl2O3/c1-13-9(14-2)6-15-10-7(11)4-3-5-8(10)12/h3-5,9H,6H2,1-2H3
InChIKeyVXSXPCHVTMOSPA-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.99
Rot. Bonds5

About 1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene

1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene (PubChem CID 66224051) has the molecular formula C10H12Cl2O3 and a molecular weight of 251.11 g/mol. Its IUPAC name is 1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene
PubChem CID66224051
Molecular FormulaC10H12Cl2O3
Molecular Weight251.11 g/mol
Exact Mass250.02
IUPAC Name1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene
SMILESCOC(COc1c(Cl)cccc1Cl)OC
InChIInChI=1S/C10H12Cl2O3/c1-13-9(14-2)6-15-10-7(11)4-3-5-8(10)12/h3-5,9H,6H2,1-2H3
InChIKeyVXSXPCHVTMOSPA-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-dichloro-2-(2,2-diethoxyethoxy)benzene
CID 2781949
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-(2,6-dichlorophenoxy)-N,N-dimethylpropan-2-amine
CID 154158720
1-(2,6-dichlorophenoxy)propan-2-ylhydrazine
CID 82291003
2-[2-(bromomethyl)-3-methylbutoxy]-1,3-dichlorobenzene
CID 65011768
(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol
CID 141307295
1-(2,2-dimethoxyethoxy)-2,3-dimethylbenzene
CID 4198790
4-chloro-1-(3,3-dimethoxypropyl)indole
CID 121393338
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
3-amino-4-(2,6-dichlorophenoxy)butanoic acid
CID 82133532
1,3-dichloro-2-(2,2-dimethoxyethylsulfonyl)benzene
CID 66224121
1-[2-(aminomethyl)-6-chlorophenoxy]-3-methoxypropan-2-ol
CID 112607872

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene?
The IUPAC name of 1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene (CID 66224051) is 1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene.
What is the SMILES notation for 1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene?
The canonical SMILES for 1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene is COC(COc1c(Cl)cccc1Cl)OC.
What is the InChIKey of 1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene?
The InChIKey is VXSXPCHVTMOSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O3/c1-13-9(14-2)6-15-10-7(11)4-3-5-8(10)12/h3-5,9H,6H2,1-2H3.
What are the key properties of 1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene?
1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene has a molecular weight of 251.11 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(2,2-dimethoxyethoxy)benzene is sourced from PubChem (CID 66224051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).