1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene

C10H12Cl2O2 — CID 169499898

IUPAC1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene
SMILESCOCOCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2O2/c1-13-7-14-3-2-8-4-9(11)6-10(12)5-8/h4-6H,2-3,7H2,1H3
InChIKeyDSOUZJUEISFJOL-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.16
Rot. Bonds5

About 1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene

1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene (PubChem CID 169499898) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene
PubChem CID169499898
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene
SMILESCOCOCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H12Cl2O2/c1-13-7-14-3-2-8-4-9(11)6-10(12)5-8/h4-6H,2-3,7H2,1H3
InChIKeyDSOUZJUEISFJOL-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene?
The IUPAC name of 1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene (CID 169499898) is 1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene?
The canonical SMILES for 1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene is COCOCCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene?
The InChIKey is DSOUZJUEISFJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-13-7-14-3-2-8-4-9(11)6-10(12)5-8/h4-6H,2-3,7H2,1H3.
What are the key properties of 1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene?
1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene has a molecular weight of 235.11 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[2-(methoxymethoxy)ethyl]benzene is sourced from PubChem (CID 169499898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).