2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane

C10H10Cl2O3 — CID 83957634

IUPAC2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane
SMILESCOc1c(Cl)cc(C2OCCO2)cc1Cl
InChIInChI=1S/C10H10Cl2O3/c1-13-9-7(11)4-6(5-8(9)12)10-14-2-3-15-10/h4-5,10H,2-3H2,1H3
InChIKeyBTBUVCWDXLLASI-UHFFFAOYSA-N
MW249.09 g/mol
LogP3.05
Rot. Bonds2

About 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane

2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane (PubChem CID 83957634) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane
PubChem CID83957634
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane
SMILESCOc1c(Cl)cc(C2OCCO2)cc1Cl
InChIInChI=1S/C10H10Cl2O3/c1-13-9-7(11)4-6(5-8(9)12)10-14-2-3-15-10/h4-5,10H,2-3H2,1H3
InChIKeyBTBUVCWDXLLASI-UHFFFAOYSA-N
XLogP3.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dichloro-p-anisyl alcohol
CID 893589
Erythro-1-(3',5'-dichloro-4'-methoxyphenyl)-1,2-propanediol
CID 139583580
1-(3,5-Dichloro-4-methoxyphenyl)propane-1,2-diol
CID 85213872
3,5-Dichloro-4-ethoxytoluene
CID 105726
(1R,2S)-1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
CID 10634472
2-(2,6-Dichloro-4-methylphenoxy)ethan-1-ol
CID 21396902
1,3-Dichloro-2-methoxy-5-(2,2,2-trifluoro-1-methoxyethyl)benzene
CID 129065633
8-[3-Chloro-4-(trifluoromethoxy)phenyl]-1,4-dioxaspiro[4.5]dec-7-ene
CID 142618613
(2,6-Dichloro-4-methylphenyl) ethyl carbonate
CID 132080427
2-(4-(Allyloxy)-3-chlorophenyl)-1,3-dioxolane
CID 168301439
2-[3-Chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane
CID 53466339
2-((2-Chloro-4-(trifluoromethyl)phenoxy)methyl)-1,3-dioxolane
CID 91656242

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane (CID 83957634) is 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane is COc1c(Cl)cc(C2OCCO2)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane?
The InChIKey is BTBUVCWDXLLASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-13-9-7(11)4-6(5-8(9)12)10-14-2-3-15-10/h4-5,10H,2-3H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane?
2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane has a molecular weight of 249.09 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-methoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 83957634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).