4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol

C15H13Br2NO2 — CID 164913281

IUPAC4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(Oc2c(Br)cc(N)cc2Br)ccc1O
InChIInChI=1S/C15H13Br2NO2/c1-8(2)11-7-10(3-4-14(11)19)20-15-12(16)5-9(18)6-13(15)17/h3-7,19H,1,18H2,2H3
InChIKeyVJMVLKZRYYEEAJ-UHFFFAOYSA-N
MW399.08 g/mol
LogP5.32
Rot. Bonds3

About 4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol

4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol (PubChem CID 164913281) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol
PubChem CID164913281
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(Oc2c(Br)cc(N)cc2Br)ccc1O
InChIInChI=1S/C15H13Br2NO2/c1-8(2)11-7-10(3-4-14(11)19)20-15-12(16)5-9(18)6-13(15)17/h3-7,19H,1,18H2,2H3
InChIKeyVJMVLKZRYYEEAJ-UHFFFAOYSA-N
XLogP5.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.08
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol?
The IUPAC name of 4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol (CID 164913281) is 4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol.
What is the SMILES notation for 4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol?
The canonical SMILES for 4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol is C=C(C)c1cc(Oc2c(Br)cc(N)cc2Br)ccc1O.
What is the InChIKey of 4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol?
The InChIKey is VJMVLKZRYYEEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-8(2)11-7-10(3-4-14(11)19)20-15-12(16)5-9(18)6-13(15)17/h3-7,19H,1,18H2,2H3.
What are the key properties of 4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol?
4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol has a molecular weight of 399.08 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,6-dibromophenoxy)-2-prop-1-en-2-ylphenol is sourced from PubChem (CID 164913281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).