1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene

C17H18Cl2O3 — CID 2284407

IUPAC1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene
SMILESCOc1cc(C)ccc1OCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C17H18Cl2O3/c1-12-7-8-14(16(11-12)20-2)21-9-4-10-22-15-6-3-5-13(18)17(15)19/h3,5-8,11H,4,9-10H2,1-2H3
InChIKeyPWHCTSMVIWZSSF-UHFFFAOYSA-N
MW341.23 g/mol
LogP5.16
Rot. Bonds7

About 1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene

1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene (PubChem CID 2284407) has the molecular formula C17H18Cl2O3 and a molecular weight of 341.23 g/mol. Its IUPAC name is 1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene
PubChem CID2284407
Molecular FormulaC17H18Cl2O3
Molecular Weight341.23 g/mol
Exact Mass340.06
IUPAC Name1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene
SMILESCOc1cc(C)ccc1OCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C17H18Cl2O3/c1-12-7-8-14(16(11-12)20-2)21-9-4-10-22-15-6-3-5-13(18)17(15)19/h3,5-8,11H,4,9-10H2,1-2H3
InChIKeyPWHCTSMVIWZSSF-UHFFFAOYSA-N
XLogP5.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.23
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene
CID 2289149
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
2-bromo-1-[3-(2-methoxyphenoxy)propoxy]-4-methylbenzene
CID 2899283
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
CID 2899565
4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2292017
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
1-[3-(2-chloro-4-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2282941

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene?
The IUPAC name of 1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene (CID 2284407) is 1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene.
What is the SMILES notation for 1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene?
The canonical SMILES for 1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene is COc1cc(C)ccc1OCCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene?
The InChIKey is PWHCTSMVIWZSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O3/c1-12-7-8-14(16(11-12)20-2)21-9-4-10-22-15-6-3-5-13(18)17(15)19/h3,5-8,11H,4,9-10H2,1-2H3.
What are the key properties of 1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene?
1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene has a molecular weight of 341.23 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene is sourced from PubChem (CID 2284407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).