1-(chloromethoxymethyl)-4-methoxybenzene

C9H11ClO2 — CID 10921254

IUPAC1-(chloromethoxymethyl)-4-methoxybenzene
SMILESCOc1ccc(COCCl)cc1
InChIInChI=1S/C9H11ClO2/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5H,6-7H2,1H3
InChIKeyDNZXMWKFPMIKRG-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.41
Rot. Bonds4

About 1-(chloromethoxymethyl)-4-methoxybenzene

1-(chloromethoxymethyl)-4-methoxybenzene (PubChem CID 10921254) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-(chloromethoxymethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(chloromethoxymethyl)-4-methoxybenzene
PubChem CID10921254
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name1-(chloromethoxymethyl)-4-methoxybenzene
SMILESCOc1ccc(COCCl)cc1
InChIInChI=1S/C9H11ClO2/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5H,6-7H2,1H3
InChIKeyDNZXMWKFPMIKRG-UHFFFAOYSA-N
XLogP2.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(chloromethoxymethyl)-4-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethoxymethyl)-4-methoxybenzene?
The IUPAC name of 1-(chloromethoxymethyl)-4-methoxybenzene (CID 10921254) is 1-(chloromethoxymethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(chloromethoxymethyl)-4-methoxybenzene?
The canonical SMILES for 1-(chloromethoxymethyl)-4-methoxybenzene is COc1ccc(COCCl)cc1.
What is the InChIKey of 1-(chloromethoxymethyl)-4-methoxybenzene?
The InChIKey is DNZXMWKFPMIKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(chloromethoxymethyl)-4-methoxybenzene?
1-(chloromethoxymethyl)-4-methoxybenzene has a molecular weight of 186.64 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxymethyl)-4-methoxybenzene is sourced from PubChem (CID 10921254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).