1-hexyl-4-(2-propoxyethoxy)benzene

C17H28O2 — CID 91210467

IUPAC1-hexyl-4-(2-propoxyethoxy)benzene
SMILESCCCCCCc1ccc(OCCOCCC)cc1
InChIInChI=1S/C17H28O2/c1-3-5-6-7-8-16-9-11-17(12-10-16)19-15-14-18-13-4-2/h9-12H,3-8,13-15H2,1-2H3
InChIKeyHKQDGFDFLOMUSD-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.61
Rot. Bonds11

About 1-hexyl-4-(2-propoxyethoxy)benzene

1-hexyl-4-(2-propoxyethoxy)benzene (PubChem CID 91210467) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-hexyl-4-(2-propoxyethoxy)benzene.

Molecular Properties

Compound Name1-hexyl-4-(2-propoxyethoxy)benzene
PubChem CID91210467
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-hexyl-4-(2-propoxyethoxy)benzene
SMILESCCCCCCc1ccc(OCCOCCC)cc1
InChIInChI=1S/C17H28O2/c1-3-5-6-7-8-16-9-11-17(12-10-16)19-15-14-18-13-4-2/h9-12H,3-8,13-15H2,1-2H3
InChIKeyHKQDGFDFLOMUSD-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
1-hexoxy-4-pentylbenzene
CID 54277450
potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol
CID 175472561
5-decyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine;5-nonyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
CID 161112053
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid
CID 102201991
azane;2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 173063713
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid
CID 132605048
sodium;hydride;2-[2-(4-octylphenoxy)ethoxy]ethyl ethanesulfonate
CID 173317917
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
5-pentyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
CID 19891615

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-(2-propoxyethoxy)benzene?
The IUPAC name of 1-hexyl-4-(2-propoxyethoxy)benzene (CID 91210467) is 1-hexyl-4-(2-propoxyethoxy)benzene.
What is the SMILES notation for 1-hexyl-4-(2-propoxyethoxy)benzene?
The canonical SMILES for 1-hexyl-4-(2-propoxyethoxy)benzene is CCCCCCc1ccc(OCCOCCC)cc1.
What is the InChIKey of 1-hexyl-4-(2-propoxyethoxy)benzene?
The InChIKey is HKQDGFDFLOMUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-5-6-7-8-16-9-11-17(12-10-16)19-15-14-18-13-4-2/h9-12H,3-8,13-15H2,1-2H3.
What are the key properties of 1-hexyl-4-(2-propoxyethoxy)benzene?
1-hexyl-4-(2-propoxyethoxy)benzene has a molecular weight of 264.41 g/mol, XLogP of 4.61, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-(2-propoxyethoxy)benzene is sourced from PubChem (CID 91210467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).