2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol

C17H26O3 — CID 81415983

IUPAC2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1c1ccc(OCCOC)cc1
InChIInChI=1S/C17H26O3/c1-4-17(5-2)15(12-16(17)18)13-6-8-14(9-7-13)20-11-10-19-3/h6-9,15-16,18H,4-5,10-12H2,1-3H3
InChIKeyFEUKKPGCJJWUHG-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.37
Rot. Bonds7

About 2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol

2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol (PubChem CID 81415983) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol
PubChem CID81415983
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1c1ccc(OCCOC)cc1
InChIInChI=1S/C17H26O3/c1-4-17(5-2)15(12-16(17)18)13-6-8-14(9-7-13)20-11-10-19-3/h6-9,15-16,18H,4-5,10-12H2,1-3H3
InChIKeyFEUKKPGCJJWUHG-UHFFFAOYSA-N
XLogP3.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol (CID 81415983) is 2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol is CCC1(CC)C(O)CC1c1ccc(OCCOC)cc1.
What is the InChIKey of 2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol?
The InChIKey is FEUKKPGCJJWUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-4-17(5-2)15(12-16(17)18)13-6-8-14(9-7-13)20-11-10-19-3/h6-9,15-16,18H,4-5,10-12H2,1-3H3.
What are the key properties of 2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol?
2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 81415983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).