3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol

C14H20O3 — CID 81415841

IUPAC3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol
SMILESCOCCOc1ccc(C2CC(O)C2C)cc1
InChIInChI=1S/C14H20O3/c1-10-13(9-14(10)15)11-3-5-12(6-4-11)17-8-7-16-2/h3-6,10,13-15H,7-9H2,1-2H3
InChIKeyCJQFRWONOMXQQX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.20
Rot. Bonds5

About 3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol

3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol (PubChem CID 81415841) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol
PubChem CID81415841
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol
SMILESCOCCOc1ccc(C2CC(O)C2C)cc1
InChIInChI=1S/C14H20O3/c1-10-13(9-14(10)15)11-3-5-12(6-4-11)17-8-7-16-2/h3-6,10,13-15H,7-9H2,1-2H3
InChIKeyCJQFRWONOMXQQX-UHFFFAOYSA-N
XLogP2.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.20
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 3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol?
The IUPAC name of 3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol (CID 81415841) is 3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol?
The canonical SMILES for 3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol is COCCOc1ccc(C2CC(O)C2C)cc1.
What is the InChIKey of 3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol?
The InChIKey is CJQFRWONOMXQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-13(9-14(10)15)11-3-5-12(6-4-11)17-8-7-16-2/h3-6,10,13-15H,7-9H2,1-2H3.
What are the key properties of 3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol?
3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethoxy)phenyl]-2-methylcyclobutan-1-ol is sourced from PubChem (CID 81415841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).