1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene

C10H12Cl2O3 — CID 173367803

IUPAC1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene
SMILESCCOC(OC)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2O3/c1-3-14-10(13-2)15-8-6-4-5-7(11)9(8)12/h4-6,10H,3H2,1-2H3
InChIKeyAQNIDOYBGKCAOJ-UHFFFAOYSA-N
MW251.11 g/mol
LogP3.34
Rot. Bonds5

About 1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene

1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene (PubChem CID 173367803) has the molecular formula C10H12Cl2O3 and a molecular weight of 251.11 g/mol. Its IUPAC name is 1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene
PubChem CID173367803
Molecular FormulaC10H12Cl2O3
Molecular Weight251.11 g/mol
Exact Mass250.02
IUPAC Name1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene
SMILESCCOC(OC)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2O3/c1-3-14-10(13-2)15-8-6-4-5-7(11)9(8)12/h4-6,10H,3H2,1-2H3
InChIKeyAQNIDOYBGKCAOJ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene
CID 173367858
1-(1-bromoethoxy)-2,3-dichlorobenzene
CID 67903309
2-(2,3-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 62451787
2-(2,3-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
CID 103228055
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370
1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine
CID 63459898
2-[1-(2,3-dichlorophenoxy)propyl]-4,5-dihydro-1H-imidazole
CID 23454828
[ethoxy(methoxy)methoxy]ethane
CID 20564684
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene
CID 64995949
1-(2,3-dichlorophenyl)-2,2-diethoxyethanol
CID 79495182
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene?
The IUPAC name of 1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene (CID 173367803) is 1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene.
What is the SMILES notation for 1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene?
The canonical SMILES for 1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene is CCOC(OC)Oc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene?
The InChIKey is AQNIDOYBGKCAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O3/c1-3-14-10(13-2)15-8-6-4-5-7(11)9(8)12/h4-6,10H,3H2,1-2H3.
What are the key properties of 1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene?
1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene has a molecular weight of 251.11 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[ethoxy(methoxy)methoxy]benzene is sourced from PubChem (CID 173367803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).