1-chloro-4-(chloromethoxymethyl)benzene

C8H8Cl2O — CID 12946592

IUPAC1-chloro-4-(chloromethoxymethyl)benzene
SMILESClCOCc1ccc(Cl)cc1
InChIInChI=1S/C8H8Cl2O/c9-6-11-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChIKeyHDJREAPJJPGWHP-UHFFFAOYSA-N
MW191.06 g/mol
LogP3.05
Rot. Bonds3

About 1-chloro-4-(chloromethoxymethyl)benzene

1-chloro-4-(chloromethoxymethyl)benzene (PubChem CID 12946592) has the molecular formula C8H8Cl2O and a molecular weight of 191.06 g/mol. Its IUPAC name is 1-chloro-4-(chloromethoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(chloromethoxymethyl)benzene
PubChem CID12946592
Molecular FormulaC8H8Cl2O
Molecular Weight191.06 g/mol
Exact Mass190.00
IUPAC Name1-chloro-4-(chloromethoxymethyl)benzene
SMILESClCOCc1ccc(Cl)cc1
InChIInChI=1S/C8H8Cl2O/c9-6-11-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChIKeyHDJREAPJJPGWHP-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 53.05
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 1-chloro-4-(chloromethoxymethyl)benzene?
The IUPAC name of 1-chloro-4-(chloromethoxymethyl)benzene (CID 12946592) is 1-chloro-4-(chloromethoxymethyl)benzene.
What is the SMILES notation for 1-chloro-4-(chloromethoxymethyl)benzene?
The canonical SMILES for 1-chloro-4-(chloromethoxymethyl)benzene is ClCOCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(chloromethoxymethyl)benzene?
The InChIKey is HDJREAPJJPGWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O/c9-6-11-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2.
What are the key properties of 1-chloro-4-(chloromethoxymethyl)benzene?
1-chloro-4-(chloromethoxymethyl)benzene has a molecular weight of 191.06 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(chloromethoxymethyl)benzene is sourced from PubChem (CID 12946592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).