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

C16H16Cl2O3 — CID 2289149

IUPAC1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene
SMILESCOc1cc(C)ccc1OCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2O3/c1-11-6-7-13(15(10-11)19-2)20-8-9-21-14-5-3-4-12(17)16(14)18/h3-7,10H,8-9H2,1-2H3
InChIKeyBYMQVQJKEMACOI-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.77
Rot. Bonds6

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

1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene (PubChem CID 2289149) has the molecular formula C16H16Cl2O3 and a molecular weight of 327.21 g/mol. Its IUPAC name is 1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene
PubChem CID2289149
Molecular FormulaC16H16Cl2O3
Molecular Weight327.21 g/mol
Exact Mass326.05
IUPAC Name1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene
SMILESCOc1cc(C)ccc1OCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2O3/c1-11-6-7-13(15(10-11)19-2)20-8-9-21-14-5-3-4-12(17)16(14)18/h3-7,10H,8-9H2,1-2H3
InChIKeyBYMQVQJKEMACOI-UHFFFAOYSA-N
XLogP4.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.77
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-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene
CID 2284407
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
1-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methoxy-4-methylbenzene
CID 2283053
1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene
CID 2284246
2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene
CID 2898830
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
CID 2899565
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
CID 58550881

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene?
The IUPAC name of 1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene (CID 2289149) is 1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene.
What is the SMILES notation for 1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene?
The canonical SMILES for 1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene is COc1cc(C)ccc1OCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene?
The InChIKey is BYMQVQJKEMACOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O3/c1-11-6-7-13(15(10-11)19-2)20-8-9-21-14-5-3-4-12(17)16(14)18/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene?
1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene has a molecular weight of 327.21 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene is sourced from PubChem (CID 2289149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).