6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one

C17H16ClNO2 — CID 82046430

IUPAC6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one
SMILESCc1c(N)cc2c(c1C)OC(c1ccccc1Cl)CC2=O
InChIInChI=1S/C17H16ClNO2/c1-9-10(2)17-12(7-14(9)19)15(20)8-16(21-17)11-5-3-4-6-13(11)18/h3-7,16H,8,19H2,1-2H3
InChIKeyDBBPYDXXVREIFM-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.25
Rot. Bonds1

About 6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one

6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one (PubChem CID 82046430) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one
PubChem CID82046430
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one
SMILESCc1c(N)cc2c(c1C)OC(c1ccccc1Cl)CC2=O
InChIInChI=1S/C17H16ClNO2/c1-9-10(2)17-12(7-14(9)19)15(20)8-16(21-17)11-5-3-4-6-13(11)18/h3-7,16H,8,19H2,1-2H3
InChIKeyDBBPYDXXVREIFM-UHFFFAOYSA-N
XLogP4.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.25
H-Bond Donors ≤ 51
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 6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one (CID 82046430) is 6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one is Cc1c(N)cc2c(c1C)OC(c1ccccc1Cl)CC2=O.
What is the InChIKey of 6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one?
The InChIKey is DBBPYDXXVREIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-9-10(2)17-12(7-14(9)19)15(20)8-16(21-17)11-5-3-4-6-13(11)18/h3-7,16H,8,19H2,1-2H3.
What are the key properties of 6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one?
6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one has a molecular weight of 301.77 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-chlorophenyl)-7,8-dimethyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 82046430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).