6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane

C17H19NO3 — CID 142024864

IUPAC6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane
SMILESCC.Nc1ccc2c(c1)C(=O)C(c1ccc(O)cc1)CO2
InChIInChI=1S/C15H13NO3.C2H6/c16-10-3-6-14-12(7-10)15(18)13(8-19-14)9-1-4-11(17)5-2-9;1-2/h1-7,13,17H,8,16H2;1-2H3
InChIKeyRNHQPYBFCSBCKD-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.36
Rot. Bonds1

About 6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane

6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane (PubChem CID 142024864) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane.

Molecular Properties

Compound Name6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane
PubChem CID142024864
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane
SMILESCC.Nc1ccc2c(c1)C(=O)C(c1ccc(O)cc1)CO2
InChIInChI=1S/C15H13NO3.C2H6/c16-10-3-6-14-12(7-10)15(18)13(8-19-14)9-1-4-11(17)5-2-9;1-2/h1-7,13,17H,8,16H2;1-2H3
InChIKeyRNHQPYBFCSBCKD-UHFFFAOYSA-N
XLogP3.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 139082569
7-hydroxy-3-phenyl-2,3-dihydrochromen-4-one
CID 586088
3-(1,3-benzodioxol-5-yl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 590611
acetylene;3-(4-fluorophenyl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 154678052
7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;[4-(7-methyl-4-oxo-2,3-dihydrochromen-3-yl)phenyl] acetate
CID 162201532
3-amino-6-hydroxy-2,3-dihydrochromen-4-one
CID 155195436
(3S)-3-phenyl-2,3-dihydrochromen-4-one
CID 6928388
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methane;methanol
CID 158152525
(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
(3R)-6-chloro-7-methyl-3-phenyl-2,3-dihydrochromen-4-one
CID 95861308
5-amino-1-benzofuran-3-one
CID 51138323
3-(4-hydroxyphenyl)-7-(4-piperidin-1-ylbutoxy)-2,3-dihydrochromen-4-one;hydrobromide
CID 175142288

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane?
The IUPAC name of 6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane (CID 142024864) is 6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane.
What is the SMILES notation for 6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane?
The canonical SMILES for 6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane is CC.Nc1ccc2c(c1)C(=O)C(c1ccc(O)cc1)CO2.
What is the InChIKey of 6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane?
The InChIKey is RNHQPYBFCSBCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3.C2H6/c16-10-3-6-14-12(7-10)15(18)13(8-19-14)9-1-4-11(17)5-2-9;1-2/h1-7,13,17H,8,16H2;1-2H3.
What are the key properties of 6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane?
6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane has a molecular weight of 285.34 g/mol, XLogP of 3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;ethane is sourced from PubChem (CID 142024864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).