8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane

C19H21NO5 — CID 144894370

IUPAC8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane
SMILESCC.NCCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccccc3)oc12
InChIInChI=1S/C17H15NO5.C2H6/c18-7-6-10-11(19)8-12(20)13-14(21)15(22)16(23-17(10)13)9-4-2-1-3-5-9;1-2/h1-5,8,19-20,22H,6-7,18H2;1-2H3
InChIKeyXLZFLLUAWAJHRM-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.10
Rot. Bonds3

About 8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane

8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane (PubChem CID 144894370) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane.

Molecular Properties

Compound Name8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane
PubChem CID144894370
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane
SMILESCC.NCCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccccc3)oc12
InChIInChI=1S/C17H15NO5.C2H6/c18-7-6-10-11(19)8-12(20)13-14(21)15(22)16(23-17(10)13)9-4-2-1-3-5-9;1-2/h1-5,8,19-20,22H,6-7,18H2;1-2H3
InChIKeyXLZFLLUAWAJHRM-UHFFFAOYSA-N
XLogP3.10
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-3-enyl)chromen-4-one
CID 175833714
2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide
CID 126595540
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2-phenylethylamino)methyl]chromen-4-one
CID 118720185
3,5,6,7-tetrahydroxy-2-phenyl-8-(2,2,2-trihydroxyethyl)chromen-4-one
CID 141115651
3,5,6-trihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 54466070
iodo(tritio)methane;3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-methoxyphenyl)chromen-4-one
CID 159326427
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one
CID 5280647
3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
3,5,7,8-tetrahydroxy-6-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 626962
3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one
CID 70253991

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane?
The IUPAC name of 8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane (CID 144894370) is 8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane.
What is the SMILES notation for 8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane?
The canonical SMILES for 8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane is CC.NCCc1c(O)cc(O)c2c(=O)c(O)c(-c3ccccc3)oc12.
What is the InChIKey of 8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane?
The InChIKey is XLZFLLUAWAJHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5.C2H6/c18-7-6-10-11(19)8-12(20)13-14(21)15(22)16(23-17(10)13)9-4-2-1-3-5-9;1-2/h1-5,8,19-20,22H,6-7,18H2;1-2H3.
What are the key properties of 8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane?
8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane has a molecular weight of 343.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-3,5,7-trihydroxy-2-phenylchromen-4-one;ethane is sourced from PubChem (CID 144894370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).