1-methoxydecoxybenzene

C17H28O2 — CID 24977925

IUPAC1-methoxydecoxybenzene
SMILESCCCCCCCCCC(OC)Oc1ccccc1
InChIInChI=1S/C17H28O2/c1-3-4-5-6-7-8-12-15-17(18-2)19-16-13-10-9-11-14-16/h9-11,13-14,17H,3-8,12,15H2,1-2H3
InChIKeyXTJFDBYBPQAHED-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.18
Rot. Bonds11

About 1-methoxydecoxybenzene

1-methoxydecoxybenzene (PubChem CID 24977925) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-methoxydecoxybenzene.

Molecular Properties

Compound Name1-methoxydecoxybenzene
PubChem CID24977925
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-methoxydecoxybenzene
SMILESCCCCCCCCCC(OC)Oc1ccccc1
InChIInChI=1S/C17H28O2/c1-3-4-5-6-7-8-12-15-17(18-2)19-16-13-10-9-11-14-16/h9-11,13-14,17H,3-8,12,15H2,1-2H3
InChIKeyXTJFDBYBPQAHED-UHFFFAOYSA-N
XLogP5.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenoxynonoxy)ethanol
CID 70629643
tetracosan-8-yloxybenzene
CID 154135377
decan-2-yloxybenzene
CID 12838331
undecan-6-yloxybenzene
CID 130316504
1-phenoxyhexadecan-1-ol
CID 140512988
3-methoxy-3-phenoxypropan-1-ol
CID 119087893
1-(5,5-dimethoxypentoxy)-3-hexoxybenzene
CID 68744497
2-phenoxynonanenitrile
CID 68573362
1,1-dimethoxytetradecane
CID 13265409
4-[1-(4-aminophenoxy)octoxy]aniline
CID 90332086
1,1,1-trifluoropentadecan-2-yloxybenzene
CID 141219706
2-phenoxyundecanal
CID 57130450

Frequently Asked Questions

What is the IUPAC name of 1-methoxydecoxybenzene?
The IUPAC name of 1-methoxydecoxybenzene (CID 24977925) is 1-methoxydecoxybenzene.
What is the SMILES notation for 1-methoxydecoxybenzene?
The canonical SMILES for 1-methoxydecoxybenzene is CCCCCCCCCC(OC)Oc1ccccc1.
What is the InChIKey of 1-methoxydecoxybenzene?
The InChIKey is XTJFDBYBPQAHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-4-5-6-7-8-12-15-17(18-2)19-16-13-10-9-11-14-16/h9-11,13-14,17H,3-8,12,15H2,1-2H3.
What are the key properties of 1-methoxydecoxybenzene?
1-methoxydecoxybenzene has a molecular weight of 264.41 g/mol, XLogP of 5.18, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxydecoxybenzene is sourced from PubChem (CID 24977925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).