5-(4-ethoxyphenyl)-2-hexyloxane

C19H30O2 — CID 21247855

IUPAC5-(4-ethoxyphenyl)-2-hexyloxane
SMILESCCCCCCC1CCC(c2ccc(OCC)cc2)CO1
InChIInChI=1S/C19H30O2/c1-3-5-6-7-8-18-14-11-17(15-21-18)16-9-12-19(13-10-16)20-4-2/h9-10,12-13,17-18H,3-8,11,14-15H2,1-2H3
InChIKeyNNIBSUHMJMXSIF-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.32
Rot. Bonds8

About 5-(4-ethoxyphenyl)-2-hexyloxane

5-(4-ethoxyphenyl)-2-hexyloxane (PubChem CID 21247855) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-2-hexyloxane.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-2-hexyloxane
PubChem CID21247855
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name5-(4-ethoxyphenyl)-2-hexyloxane
SMILESCCCCCCC1CCC(c2ccc(OCC)cc2)CO1
InChIInChI=1S/C19H30O2/c1-3-5-6-7-8-18-14-11-17(15-21-18)16-9-12-19(13-10-16)20-4-2/h9-10,12-13,17-18H,3-8,11,14-15H2,1-2H3
InChIKeyNNIBSUHMJMXSIF-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-ethoxyphenyl)-2-hexyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methylphenyl)-2-pentyloxane
CID 21248084
2-heptyl-5-(4-octylphenyl)oxane
CID 21247893
2-heptyl-5-(4-heptylphenyl)oxane
CID 21247540
5-(4-ethylphenyl)-2-pentyloxane
CID 21247840
2-octyl-5-(4-phenylphenyl)oxane
CID 21247738
5-[4-(4-chlorophenyl)phenyl]-2-octyloxane
CID 21248010
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
2-(4-ethoxyphenyl)-5-octyloxane
CID 21247751
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
cis-(2S,5S)-5-(4-ethoxyphenyl)-2-pentylcyclohexan-1-one
CID 139641241

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-2-hexyloxane?
The IUPAC name of 5-(4-ethoxyphenyl)-2-hexyloxane (CID 21247855) is 5-(4-ethoxyphenyl)-2-hexyloxane.
What is the SMILES notation for 5-(4-ethoxyphenyl)-2-hexyloxane?
The canonical SMILES for 5-(4-ethoxyphenyl)-2-hexyloxane is CCCCCCC1CCC(c2ccc(OCC)cc2)CO1.
What is the InChIKey of 5-(4-ethoxyphenyl)-2-hexyloxane?
The InChIKey is NNIBSUHMJMXSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-3-5-6-7-8-18-14-11-17(15-21-18)16-9-12-19(13-10-16)20-4-2/h9-10,12-13,17-18H,3-8,11,14-15H2,1-2H3.
What are the key properties of 5-(4-ethoxyphenyl)-2-hexyloxane?
5-(4-ethoxyphenyl)-2-hexyloxane has a molecular weight of 290.45 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-2-hexyloxane is sourced from PubChem (CID 21247855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).