4-chloro-2-(chloromethyl)-1-ethoxybenzene

C9H10Cl2O — CID 43141958

IUPAC4-chloro-2-(chloromethyl)-1-ethoxybenzene
SMILESCCOc1ccc(Cl)cc1CCl
InChIInChI=1S/C9H10Cl2O/c1-2-12-9-4-3-8(11)5-7(9)6-10/h3-5H,2,6H2,1H3
InChIKeyFTYNOQFWVVRZBE-UHFFFAOYSA-N
MW205.08 g/mol
LogP3.48
Rot. Bonds3

About 4-chloro-2-(chloromethyl)-1-ethoxybenzene

4-chloro-2-(chloromethyl)-1-ethoxybenzene (PubChem CID 43141958) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-ethoxybenzene.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-ethoxybenzene
PubChem CID43141958
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name4-chloro-2-(chloromethyl)-1-ethoxybenzene
SMILESCCOc1ccc(Cl)cc1CCl
InChIInChI=1S/C9H10Cl2O/c1-2-12-9-4-3-8(11)5-7(9)6-10/h3-5H,2,6H2,1H3
InChIKeyFTYNOQFWVVRZBE-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-ethoxybenzene?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-ethoxybenzene (CID 43141958) is 4-chloro-2-(chloromethyl)-1-ethoxybenzene.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-ethoxybenzene?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-ethoxybenzene is CCOc1ccc(Cl)cc1CCl.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-ethoxybenzene?
The InChIKey is FTYNOQFWVVRZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O/c1-2-12-9-4-3-8(11)5-7(9)6-10/h3-5H,2,6H2,1H3.
What are the key properties of 4-chloro-2-(chloromethyl)-1-ethoxybenzene?
4-chloro-2-(chloromethyl)-1-ethoxybenzene has a molecular weight of 205.08 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-ethoxybenzene is sourced from PubChem (CID 43141958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).