4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol

C15H13BrClNO2 — CID 107678719

IUPAC4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol
SMILESOc1ccc(NC2CCOc3ccc(Br)cc32)cc1Cl
InChIInChI=1S/C15H13BrClNO2/c16-9-1-4-15-11(7-9)13(5-6-20-15)18-10-2-3-14(19)12(17)8-10/h1-4,7-8,13,18-19H,5-6H2
InChIKeyKTCJEUOEPJFQEH-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.74
Rot. Bonds2

About 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol

4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol (PubChem CID 107678719) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol.

Molecular Properties

Compound Name4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol
PubChem CID107678719
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol
SMILESOc1ccc(NC2CCOc3ccc(Br)cc32)cc1Cl
InChIInChI=1S/C15H13BrClNO2/c16-9-1-4-15-11(7-9)13(5-6-20-15)18-10-2-3-14(19)12(17)8-10/h1-4,7-8,13,18-19H,5-6H2
InChIKeyKTCJEUOEPJFQEH-UHFFFAOYSA-N
XLogP4.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol
CID 107700924
6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 83078339
6-bromo-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785841
5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-fluorobenzonitrile
CID 62316798
6-bromo-N-(3-ethynylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43755539
2-[4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]phenyl]acetonitrile
CID 43786452
6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43777607
6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107597702
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
N-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43194572
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-chloroacetamide
CID 167888581

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol?
The IUPAC name of 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol (CID 107678719) is 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol.
What is the SMILES notation for 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol?
The canonical SMILES for 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol is Oc1ccc(NC2CCOc3ccc(Br)cc32)cc1Cl.
What is the InChIKey of 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol?
The InChIKey is KTCJEUOEPJFQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c16-9-1-4-15-11(7-9)13(5-6-20-15)18-10-2-3-14(19)12(17)8-10/h1-4,7-8,13,18-19H,5-6H2.
What are the key properties of 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol?
4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol has a molecular weight of 354.63 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-chlorophenol is sourced from PubChem (CID 107678719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).