1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene

C18H28O2 — CID 21043309

IUPAC1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCCOC)cc2)CC1
InChIInChI=1S/C18H28O2/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)20-14-13-19-2/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyJYWJBAZESPSSTB-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.79
Rot. Bonds7

About 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene

1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene (PubChem CID 21043309) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
PubChem CID21043309
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCCOC)cc2)CC1
InChIInChI=1S/C18H28O2/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)20-14-13-19-2/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyJYWJBAZESPSSTB-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.79
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene (CID 21043309) is 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(OCCOC)cc2)CC1.
What is the InChIKey of 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene?
The InChIKey is JYWJBAZESPSSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)20-14-13-19-2/h9-12,15-16H,3-8,13-14H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene?
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene has a molecular weight of 276.42 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 21043309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).