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

C16H16Cl2O3 — CID 2252113

IUPAC2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
SMILESCOc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2O3/c1-19-13-4-6-14(7-5-13)20-9-2-10-21-16-8-3-12(17)11-15(16)18/h3-8,11H,2,9-10H2,1H3
InChIKeyQBIHMAHOTJKICK-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.85
Rot. Bonds7

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

2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene (PubChem CID 2252113) has the molecular formula C16H16Cl2O3 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
PubChem CID2252113
Molecular FormulaC16H16Cl2O3
Molecular Weight327.21 g/mol
Exact Mass326.05
IUPAC Name2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
SMILESCOc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2O3/c1-19-13-4-6-14(7-5-13)20-9-2-10-21-16-8-3-12(17)11-15(16)18/h3-8,11H,2,9-10H2,1H3
InChIKeyQBIHMAHOTJKICK-UHFFFAOYSA-N
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.85
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

3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 62057318
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride
CID 171150550
1,5-dichloro-2-[3-(4-methoxyphenoxy)propoxy]-3-methylbenzene
CID 4302361
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
4-chloro-1-[2-(4-methoxyphenoxy)ethoxy]-2-nitrobenzene
CID 7714405
methyl 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzoate
CID 112772161
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
CID 55878941
2-[(2,4-dichlorophenoxy)methyl]-1-[4-(4-methoxyphenoxy)butyl]benzimidazole
CID 16997248
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
[2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2357919

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene?
The IUPAC name of 2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene (CID 2252113) is 2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene.
What is the SMILES notation for 2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene?
The canonical SMILES for 2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene is COc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene?
The InChIKey is QBIHMAHOTJKICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O3/c1-19-13-4-6-14(7-5-13)20-9-2-10-21-16-8-3-12(17)11-15(16)18/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene?
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene has a molecular weight of 327.21 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene is sourced from PubChem (CID 2252113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).