1-chloro-2-(diethoxymethyl)benzene

C11H15ClO2 — CID 598076

IUPAC1-chloro-2-(diethoxymethyl)benzene
SMILESCCOC(OCC)c1ccccc1Cl
InChIInChI=1S/C11H15ClO2/c1-3-13-11(14-4-2)9-7-5-6-8-10(9)12/h5-8,11H,3-4H2,1-2H3
InChIKeyBVAOFFFFYDZUNU-UHFFFAOYSA-N
MW214.69 g/mol
LogP3.41
Rot. Bonds5

About 1-chloro-2-(diethoxymethyl)benzene

1-chloro-2-(diethoxymethyl)benzene (PubChem CID 598076) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-chloro-2-(diethoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(diethoxymethyl)benzene
PubChem CID598076
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-chloro-2-(diethoxymethyl)benzene
SMILESCCOC(OCC)c1ccccc1Cl
InChIInChI=1S/C11H15ClO2/c1-3-13-11(14-4-2)9-7-5-6-8-10(9)12/h5-8,11H,3-4H2,1-2H3
InChIKeyBVAOFFFFYDZUNU-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde dimethyl acetal
CID 62375
(Diethoxymethyl)benzene
CID 69884
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
2-(4-Chlorophenyl)-1,3-dioxolane
CID 305775
Benzenemethanol, 4-chloro-, 1-acetate
CID 79407
4-Chlorobenzaldehyde dimethyl acetal
CID 520661
2-Chlorobenzaldehyde ethylene ketal
CID 4054551
1,3-Dichloro-2-(methoxymethyl)benzene
CID 118490
(Dibutoxymethyl)benzene
CID 219171
1-Chloro-4-(diethoxymethyl)benzene
CID 326160
(2,4-Dichlorophenyl)methyl acetate
CID 225826
1,3-Dioxane, 2-(4-chlorophenyl)-
CID 252517

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(diethoxymethyl)benzene?
The IUPAC name of 1-chloro-2-(diethoxymethyl)benzene (CID 598076) is 1-chloro-2-(diethoxymethyl)benzene.
What is the SMILES notation for 1-chloro-2-(diethoxymethyl)benzene?
The canonical SMILES for 1-chloro-2-(diethoxymethyl)benzene is CCOC(OCC)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(diethoxymethyl)benzene?
The InChIKey is BVAOFFFFYDZUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-3-13-11(14-4-2)9-7-5-6-8-10(9)12/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 1-chloro-2-(diethoxymethyl)benzene?
1-chloro-2-(diethoxymethyl)benzene has a molecular weight of 214.69 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(diethoxymethyl)benzene is sourced from PubChem (CID 598076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).