1-(1-methoxypropyl)-4-octylbenzene

C18H30O — CID 123387673

IUPAC1-(1-methoxypropyl)-4-octylbenzene
SMILESCCCCCCCCc1ccc(C(CC)OC)cc1
InChIInChI=1S/C18H30O/c1-4-6-7-8-9-10-11-16-12-14-17(15-13-16)18(5-2)19-3/h12-15,18H,4-11H2,1-3H3
InChIKeyFXBNQXFFDWRDCW-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.69
Rot. Bonds10

About 1-(1-methoxypropyl)-4-octylbenzene

1-(1-methoxypropyl)-4-octylbenzene (PubChem CID 123387673) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(1-methoxypropyl)-4-octylbenzene.

Molecular Properties

Compound Name1-(1-methoxypropyl)-4-octylbenzene
PubChem CID123387673
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-(1-methoxypropyl)-4-octylbenzene
SMILESCCCCCCCCc1ccc(C(CC)OC)cc1
InChIInChI=1S/C18H30O/c1-4-6-7-8-9-10-11-16-12-14-17(15-13-16)18(5-2)19-3/h12-15,18H,4-11H2,1-3H3
InChIKeyFXBNQXFFDWRDCW-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-(1-methoxypropyl)benzene
CID 123986440
1-butyl-4-nonylbenzene
CID 59545302
bis(4-tridecylphenyl)methanol
CID 139673626
1,2-bis(4-octylphenyl)ethane-1,2-dithiol
CID 101102627
1-(1-bromobutyl)-4-hexylbenzene
CID 139813954
(1S)-1-(4-hexylphenyl)ethanamine
CID 25324494
1-butyl-4-(1-methoxyethyl)benzene
CID 143934734
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
(1S)-1-(4-octylphenyl)ethanol
CID 67859464
2-(4-heptylphenyl)propane-1,3-diol
CID 14527851
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
CID 59759292
CID 59759292

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropyl)-4-octylbenzene?
The IUPAC name of 1-(1-methoxypropyl)-4-octylbenzene (CID 123387673) is 1-(1-methoxypropyl)-4-octylbenzene.
What is the SMILES notation for 1-(1-methoxypropyl)-4-octylbenzene?
The canonical SMILES for 1-(1-methoxypropyl)-4-octylbenzene is CCCCCCCCc1ccc(C(CC)OC)cc1.
What is the InChIKey of 1-(1-methoxypropyl)-4-octylbenzene?
The InChIKey is FXBNQXFFDWRDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-4-6-7-8-9-10-11-16-12-14-17(15-13-16)18(5-2)19-3/h12-15,18H,4-11H2,1-3H3.
What are the key properties of 1-(1-methoxypropyl)-4-octylbenzene?
1-(1-methoxypropyl)-4-octylbenzene has a molecular weight of 262.44 g/mol, XLogP of 5.69, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropyl)-4-octylbenzene is sourced from PubChem (CID 123387673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).