[2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene

C14H18Cl2O2 — CID 14924955

IUPAC[2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene
SMILESCCOC(OCC)C1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C14H18Cl2O2/c1-3-17-12(18-4-2)13(10-14(13,15)16)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyQJCQEZNXTYGXLG-UHFFFAOYSA-N
MW289.20 g/mol
LogP3.90
Rot. Bonds6

About [2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene

[2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene (PubChem CID 14924955) has the molecular formula C14H18Cl2O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is [2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name[2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene
PubChem CID14924955
Molecular FormulaC14H18Cl2O2
Molecular Weight289.20 g/mol
Exact Mass288.07
IUPAC Name[2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene
SMILESCCOC(OCC)C1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C14H18Cl2O2/c1-3-17-12(18-4-2)13(10-14(13,15)16)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyQJCQEZNXTYGXLG-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 [2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene?
The IUPAC name of [2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene (CID 14924955) is [2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene.
What is the SMILES notation for [2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene?
The canonical SMILES for [2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene is CCOC(OCC)C1(c2ccccc2)CC1(Cl)Cl.
What is the InChIKey of [2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene?
The InChIKey is QJCQEZNXTYGXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O2/c1-3-17-12(18-4-2)13(10-14(13,15)16)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of [2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene?
[2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene has a molecular weight of 289.20 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dichloro-1-(diethoxymethyl)cyclopropyl]benzene is sourced from PubChem (CID 14924955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).