1-(chloromethoxy)-3-methoxybenzene

C8H9ClO2 — CID 59086252

IUPAC1-(chloromethoxy)-3-methoxybenzene
SMILESCOc1cccc(OCCl)c1
InChIInChI=1S/C8H9ClO2/c1-10-7-3-2-4-8(5-7)11-6-9/h2-5H,6H2,1H3
InChIKeyZLLGKZVMBZTBEX-UHFFFAOYSA-N
MW172.61 g/mol
LogP2.27
Rot. Bonds3

About 1-(chloromethoxy)-3-methoxybenzene

1-(chloromethoxy)-3-methoxybenzene (PubChem CID 59086252) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 1-(chloromethoxy)-3-methoxybenzene.

Molecular Properties

Compound Name1-(chloromethoxy)-3-methoxybenzene
PubChem CID59086252
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name1-(chloromethoxy)-3-methoxybenzene
SMILESCOc1cccc(OCCl)c1
InChIInChI=1S/C8H9ClO2/c1-10-7-3-2-4-8(5-7)11-6-9/h2-5H,6H2,1H3
InChIKeyZLLGKZVMBZTBEX-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(chloromethoxy)-3-methoxybenzene with MolForge

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

Launch Full Analysis

Related Compounds

(3-methoxyphenoxy)methanol
CID 10442564
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
2-(3-methoxyphenoxy)acetonitrile
CID 11041031
2-(3-methoxyphenoxy)acetaldehyde
CID 15692237
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
1-but-2-ynoxy-3-methoxybenzene
CID 12759697

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethoxy)-3-methoxybenzene?
The IUPAC name of 1-(chloromethoxy)-3-methoxybenzene (CID 59086252) is 1-(chloromethoxy)-3-methoxybenzene.
What is the SMILES notation for 1-(chloromethoxy)-3-methoxybenzene?
The canonical SMILES for 1-(chloromethoxy)-3-methoxybenzene is COc1cccc(OCCl)c1.
What is the InChIKey of 1-(chloromethoxy)-3-methoxybenzene?
The InChIKey is ZLLGKZVMBZTBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c1-10-7-3-2-4-8(5-7)11-6-9/h2-5H,6H2,1H3.
What are the key properties of 1-(chloromethoxy)-3-methoxybenzene?
1-(chloromethoxy)-3-methoxybenzene has a molecular weight of 172.61 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxy)-3-methoxybenzene is sourced from PubChem (CID 59086252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).