4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol

C13H15BrO2 — CID 167297758

IUPAC4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol
SMILESCOC(Cc1cc(O)ccc1Br)=C1CCC1
InChIInChI=1S/C13H15BrO2/c1-16-13(9-3-2-4-9)8-10-7-11(15)5-6-12(10)14/h5-7,15H,2-4,8H2,1H3
InChIKeyFODDCFVEHQBNDU-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.78
Rot. Bonds3

About 4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol

4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol (PubChem CID 167297758) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol.

Molecular Properties

Compound Name4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol
PubChem CID167297758
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol
SMILESCOC(Cc1cc(O)ccc1Br)=C1CCC1
InChIInChI=1S/C13H15BrO2/c1-16-13(9-3-2-4-9)8-10-7-11(15)5-6-12(10)14/h5-7,15H,2-4,8H2,1H3
InChIKeyFODDCFVEHQBNDU-UHFFFAOYSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol?
The IUPAC name of 4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol (CID 167297758) is 4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol.
What is the SMILES notation for 4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol?
The canonical SMILES for 4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol is COC(Cc1cc(O)ccc1Br)=C1CCC1.
What is the InChIKey of 4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol?
The InChIKey is FODDCFVEHQBNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-16-13(9-3-2-4-9)8-10-7-11(15)5-6-12(10)14/h5-7,15H,2-4,8H2,1H3.
What are the key properties of 4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol?
4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol has a molecular weight of 283.16 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2-cyclobutylidene-2-methoxyethyl)phenol is sourced from PubChem (CID 167297758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).