1-chloro-4-[(2-methylphenoxy)methoxy]benzene

C14H13ClO2 — CID 59416592

IUPAC1-chloro-4-[(2-methylphenoxy)methoxy]benzene
SMILESCc1ccccc1OCOc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClO2/c1-11-4-2-3-5-14(11)17-10-16-13-8-6-12(15)7-9-13/h2-9H,10H2,1H3
InChIKeyLVRXGAATDDFATL-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.06
Rot. Bonds4

About 1-chloro-4-[(2-methylphenoxy)methoxy]benzene

1-chloro-4-[(2-methylphenoxy)methoxy]benzene (PubChem CID 59416592) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-chloro-4-[(2-methylphenoxy)methoxy]benzene.

Molecular Properties

Compound Name1-chloro-4-[(2-methylphenoxy)methoxy]benzene
PubChem CID59416592
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name1-chloro-4-[(2-methylphenoxy)methoxy]benzene
SMILESCc1ccccc1OCOc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClO2/c1-11-4-2-3-5-14(11)17-10-16-13-8-6-12(15)7-9-13/h2-9H,10H2,1H3
InChIKeyLVRXGAATDDFATL-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-4-[(2-methylphenoxy)methoxy]benzene 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

methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene
CID 162159087
1-chloro-4-[(2-methylphenoxy)methylsulfanyl]benzene
CID 90464878
1-fluoro-4-[2-(2-methylphenoxy)ethoxy]benzene
CID 59416560
3-[(4-chlorophenoxy)methyl]-6-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100951441
N-[4-(4-chlorophenoxy)butyl]-2-methylaniline
CID 82096216
1-ethoxy-4-[4-(2-methylphenoxy)butoxy]benzene
CID 2283423
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 108536306
2-[(4-chlorophenoxy)methyl]-5-[2-(2-methylphenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 55323791
2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071
1-[[(E)-but-2-enoxy]methoxy]-2-methylbenzene
CID 101341939
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997763
1-(4-chlorophenoxy)-3-(2-methylphenyl)propan-2-one
CID 105079492

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(2-methylphenoxy)methoxy]benzene?
The IUPAC name of 1-chloro-4-[(2-methylphenoxy)methoxy]benzene (CID 59416592) is 1-chloro-4-[(2-methylphenoxy)methoxy]benzene.
What is the SMILES notation for 1-chloro-4-[(2-methylphenoxy)methoxy]benzene?
The canonical SMILES for 1-chloro-4-[(2-methylphenoxy)methoxy]benzene is Cc1ccccc1OCOc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(2-methylphenoxy)methoxy]benzene?
The InChIKey is LVRXGAATDDFATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-11-4-2-3-5-14(11)17-10-16-13-8-6-12(15)7-9-13/h2-9H,10H2,1H3.
What are the key properties of 1-chloro-4-[(2-methylphenoxy)methoxy]benzene?
1-chloro-4-[(2-methylphenoxy)methoxy]benzene has a molecular weight of 248.71 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(2-methylphenoxy)methoxy]benzene is sourced from PubChem (CID 59416592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).