1,3-dichloro-5-(ethoxymethoxy)benzene

C9H10Cl2O2 — CID 175806950

IUPAC1,3-dichloro-5-(ethoxymethoxy)benzene
SMILESCCOCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H10Cl2O2/c1-2-12-6-13-9-4-7(10)3-8(11)5-9/h3-5H,2,6H2,1H3
InChIKeyALQIKDJCLAWQBM-UHFFFAOYSA-N
MW221.08 g/mol
LogP3.37
Rot. Bonds4

About 1,3-dichloro-5-(ethoxymethoxy)benzene

1,3-dichloro-5-(ethoxymethoxy)benzene (PubChem CID 175806950) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 1,3-dichloro-5-(ethoxymethoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(ethoxymethoxy)benzene
PubChem CID175806950
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name1,3-dichloro-5-(ethoxymethoxy)benzene
SMILESCCOCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H10Cl2O2/c1-2-12-6-13-9-4-7(10)3-8(11)5-9/h3-5H,2,6H2,1H3
InChIKeyALQIKDJCLAWQBM-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 53.37
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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Related Compounds

2-(3,5-dichlorophenoxy)-N,N-diethylacetamide
CID 84603845
5-chloro-2-(ethoxymethoxy)pyrimidine
CID 13062942
1-(3-chloro-5-ethoxyphenyl)propan-1-amine
CID 155798164
1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene
CID 59168458
CID 90889125
CID 90889125
(3-chloro-5-ethoxyphenyl)hydrazine
CID 130779146
1-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369844
1-[3,5-dichloro-2-(ethoxymethoxy)phenyl]-N-methylmethanamine
CID 65369787
1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene
CID 55199898
(1S)-1-[4-(ethoxymethoxy)phenyl]propan-1-ol
CID 79005366
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
1-(2-bromoethoxy)-3,5-dichlorobenzene
CID 22246776

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(ethoxymethoxy)benzene?
The IUPAC name of 1,3-dichloro-5-(ethoxymethoxy)benzene (CID 175806950) is 1,3-dichloro-5-(ethoxymethoxy)benzene.
What is the SMILES notation for 1,3-dichloro-5-(ethoxymethoxy)benzene?
The canonical SMILES for 1,3-dichloro-5-(ethoxymethoxy)benzene is CCOCOc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(ethoxymethoxy)benzene?
The InChIKey is ALQIKDJCLAWQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-2-12-6-13-9-4-7(10)3-8(11)5-9/h3-5H,2,6H2,1H3.
What are the key properties of 1,3-dichloro-5-(ethoxymethoxy)benzene?
1,3-dichloro-5-(ethoxymethoxy)benzene has a molecular weight of 221.08 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(ethoxymethoxy)benzene is sourced from PubChem (CID 175806950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).