6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one

C15H12ClNO2 — CID 82046236

IUPAC6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one
SMILESNc1ccc2c(c1)C(=O)CC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C15H12ClNO2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-7,15H,8,17H2
InChIKeyPCALOOXHZOOEPD-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.63
Rot. Bonds1

About 6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one

6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 82046236) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one
PubChem CID82046236
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one
SMILESNc1ccc2c(c1)C(=O)CC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C15H12ClNO2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-7,15H,8,17H2
InChIKeyPCALOOXHZOOEPD-UHFFFAOYSA-N
XLogP3.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(3,5-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672721
6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672781
6-chloro-2-(3,5-difluorophenyl)-2,3-dihydrochromen-4-one
CID 106534728
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169
6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114672978
6-amino-2-pyridin-2-yl-2,3-dihydrochromen-4-one
CID 82046249
6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114672657
6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one
CID 114672815
6-bromo-2-(4-propan-2-ylphenyl)-2,3-dihydrochromen-4-one
CID 114674444
6-chloro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672943
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one
CID 163678312

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one (CID 82046236) is 6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one is Nc1ccc2c(c1)C(=O)CC(c1ccc(Cl)cc1)O2.
What is the InChIKey of 6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is PCALOOXHZOOEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-10-3-1-9(2-4-10)15-8-13(18)12-7-11(17)5-6-14(12)19-15/h1-7,15H,8,17H2.
What are the key properties of 6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one?
6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 273.72 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 82046236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).