4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol

C17H13BrN2O — CID 801157

IUPAC4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
SMILESOc1ccc(Br)cc1C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C17H13BrN2O/c18-11-7-8-15(21)12(9-11)17-19-13-5-1-3-10-4-2-6-14(20-17)16(10)13/h1-9,17,19-21H
InChIKeyNFWQWYQALXTERU-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.84
Rot. Bonds1

About 4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol

4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol (PubChem CID 801157) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
PubChem CID801157
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
SMILESOc1ccc(Br)cc1C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C17H13BrN2O/c18-11-7-8-15(21)12(9-11)17-19-13-5-1-3-10-4-2-6-14(20-17)16(10)13/h1-9,17,19-21H
InChIKeyNFWQWYQALXTERU-UHFFFAOYSA-N
XLogP4.84
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-Dihydro-1H-perimidin-2-yl)-phenol
CID 256659
1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol
CID 668468
4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol
CID 727028
5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 660794
2-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 656216
2-(5-Bromo-2-methoxy-phenyl)-2,3-dihydro-1H-perimidine
CID 980264
3-(2,3-Dihydro-1H-perimidin-2-YL)-phenol
CID 727015
2-allyl-6-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 854281
2,4-dibromo-6-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 1851689
2,4-ditert-butyl-6-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 49782961
2-(2,3-dihydro-1H-perimidin-2-yl)-6-methylphenol
CID 49783168
CID 168326728
CID 168326728

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol?
The IUPAC name of 4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol (CID 801157) is 4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol.
What is the SMILES notation for 4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol?
The canonical SMILES for 4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol is Oc1ccc(Br)cc1C1Nc2cccc3cccc(c23)N1.
What is the InChIKey of 4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol?
The InChIKey is NFWQWYQALXTERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-11-7-8-15(21)12(9-11)17-19-13-5-1-3-10-4-2-6-14(20-17)16(10)13/h1-9,17,19-21H.
What are the key properties of 4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol?
4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol has a molecular weight of 341.21 g/mol, XLogP of 4.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol is sourced from PubChem (CID 801157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).