1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene

C20H32O2 — CID 57301084

IUPAC1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene
SMILESCCCC1CCCCC1CCCOc1ccc(OCC)cc1
InChIInChI=1S/C20H32O2/c1-3-8-17-9-5-6-10-18(17)11-7-16-22-20-14-12-19(13-15-20)21-4-2/h12-15,17-18H,3-11,16H2,1-2H3
InChIKeyNTTVSMXSHUVFOO-UHFFFAOYSA-N
MW304.47 g/mol
LogP5.85
Rot. Bonds9

About 1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene

1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene (PubChem CID 57301084) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene
PubChem CID57301084
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene
SMILESCCCC1CCCCC1CCCOc1ccc(OCC)cc1
InChIInChI=1S/C20H32O2/c1-3-8-17-9-5-6-10-18(17)11-7-16-22-20-14-12-19(13-15-20)21-4-2/h12-15,17-18H,3-11,16H2,1-2H3
InChIKeyNTTVSMXSHUVFOO-UHFFFAOYSA-N
XLogP5.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.85
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-[3-(2-pentylcyclohexyl)propoxy]-4-propoxybenzene
CID 57258842
[(2R,3R)-3-[4-[3-(2-propylcyclohexyl)propoxy]benzoyl]oxybutan-2-yl] 4-[3-(2-propylcyclohexyl)propoxy]benzoate
CID 67784931
1-fluoro-4-[3-(2-pentylcyclohexyl)propoxy]benzene
CID 56982189
4-[3-(2-butylcyclohexyl)propoxy]benzonitrile
CID 57286290
1-[3-(2-heptylcyclohexyl)propoxy]-4-[(4-propylcyclohexyl)methoxy]benzene
CID 57242235
1-fluoro-4-[4-[3-(2-heptylcyclohexyl)propoxy]phenyl]benzene
CID 57204959
1-[3-(2-butylcyclohexyl)propoxy]-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 57055997
2-(4-ethoxyphenyl)-5-[3-(2-pentylcyclohexyl)propoxy]-1,3,4-thiadiazole
CID 57018319
5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine
CID 57067508
1-[3-(2-butylcyclohexyl)propoxy]-4-(4-ethylcyclohexyl)benzene
CID 67829684
1-[3-(2-pentylcyclohexyl)propoxy]-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
CID 57027738
4-[4-[3-(2-heptylcyclohexyl)propoxy]phenyl]benzonitrile
CID 57074582

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene?
The IUPAC name of 1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene (CID 57301084) is 1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene.
What is the SMILES notation for 1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene?
The canonical SMILES for 1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene is CCCC1CCCCC1CCCOc1ccc(OCC)cc1.
What is the InChIKey of 1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene?
The InChIKey is NTTVSMXSHUVFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-3-8-17-9-5-6-10-18(17)11-7-16-22-20-14-12-19(13-15-20)21-4-2/h12-15,17-18H,3-11,16H2,1-2H3.
What are the key properties of 1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene?
1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene has a molecular weight of 304.47 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[3-(2-propylcyclohexyl)propoxy]benzene is sourced from PubChem (CID 57301084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).