4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol

C14H18BrNO3 — CID 67933533

IUPAC4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol
SMILESCOc1cc(Br)cc(C=CCN2CCOCC2)c1O
InChIInChI=1S/C14H18BrNO3/c1-18-13-10-12(15)9-11(14(13)17)3-2-4-16-5-7-19-8-6-16/h2-3,9-10,17H,4-8H2,1H3
InChIKeyOZEMUDWQLRKWTD-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.51
Rot. Bonds4

About 4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol

4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol (PubChem CID 67933533) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol
PubChem CID67933533
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol
SMILESCOc1cc(Br)cc(C=CCN2CCOCC2)c1O
InChIInChI=1S/C14H18BrNO3/c1-18-13-10-12(15)9-11(14(13)17)3-2-4-16-5-7-19-8-6-16/h2-3,9-10,17H,4-8H2,1H3
InChIKeyOZEMUDWQLRKWTD-UHFFFAOYSA-N
XLogP2.51
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol?
The IUPAC name of 4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol (CID 67933533) is 4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol?
The canonical SMILES for 4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol is COc1cc(Br)cc(C=CCN2CCOCC2)c1O.
What is the InChIKey of 4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol?
The InChIKey is OZEMUDWQLRKWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-18-13-10-12(15)9-11(14(13)17)3-2-4-16-5-7-19-8-6-16/h2-3,9-10,17H,4-8H2,1H3.
What are the key properties of 4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol?
4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol has a molecular weight of 328.21 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol is sourced from PubChem (CID 67933533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).