1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene

C19H24O3 — CID 2284068

IUPAC1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1OCCCOc1ccc(C)cc1C
InChIInChI=1S/C19H24O3/c1-14-6-8-17(16(3)12-14)21-10-5-11-22-18-9-7-15(2)13-19(18)20-4/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyMRESOJCMPLNORV-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.47
Rot. Bonds7

About 1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene

1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene (PubChem CID 2284068) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
PubChem CID2284068
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1OCCCOc1ccc(C)cc1C
InChIInChI=1S/C19H24O3/c1-14-6-8-17(16(3)12-14)21-10-5-11-22-18-9-7-15(2)13-19(18)20-4/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyMRESOJCMPLNORV-UHFFFAOYSA-N
XLogP4.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.47
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-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
carbon dioxide;methyl 4-[3-(2-methoxy-4-methylphenoxy)propoxy]-3-methylbenzoate
CID 123232367
2-[4-(2-methoxy-4-methylphenoxy)butoxy]-1,3,4-trimethylbenzene
CID 2285808
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2288865
4-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2264220
1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene
CID 2284407

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene?
The IUPAC name of 1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene (CID 2284068) is 1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene is COc1cc(C)ccc1OCCCOc1ccc(C)cc1C.
What is the InChIKey of 1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene?
The InChIKey is MRESOJCMPLNORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-14-6-8-17(16(3)12-14)21-10-5-11-22-18-9-7-15(2)13-19(18)20-4/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of 1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene?
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene has a molecular weight of 300.40 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene is sourced from PubChem (CID 2284068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).