(2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one

C21H25NO4 — CID 3075481

IUPAC(2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCCN(CC)CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C21H25NO4/c1-3-22(4-2)11-10-15-16(23)12-17(24)20-18(25)13-19(26-21(15)20)14-8-6-5-7-9-14/h5-9,12,19,23-24H,3-4,10-11,13H2,1-2H3/t19-/m0/s1
InChIKeyIUGHRWRPBJSPNC-IBGZPJMESA-N
MW355.43 g/mol
LogP3.69
Rot. Bonds6

About (2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one

(2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 3075481) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID3075481
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESCCN(CC)CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C21H25NO4/c1-3-22(4-2)11-10-15-16(23)12-17(24)20-18(25)13-19(26-21(15)20)14-8-6-5-7-9-14/h5-9,12,19,23-24H,3-4,10-11,13H2,1-2H3/t19-/m0/s1
InChIKeyIUGHRWRPBJSPNC-IBGZPJMESA-N
XLogP3.69
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-8-[(dimethylamino)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 3075480
(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
5,8-dihydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122415336
5-hydroxy-7-(hydroxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 122581168
7-amino-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 138485078
2-(4-chlorophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 139750919
(2S)-5,7-dihydroxy-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 163187535
(2R)-6,8-bis[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 38360858
(2R)-5,7-dihydroxy-2-phenyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
CID 72712218
(2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 38360850
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
(2S)-5,7-dimethoxy-8-(methoxymethyl)-2-phenyl-2,3-dihydrochromen-4-one
CID 162807777

Frequently Asked Questions

What is the IUPAC name of (2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one (CID 3075481) is (2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one is CCN(CC)CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O.
What is the InChIKey of (2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is IUGHRWRPBJSPNC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25NO4/c1-3-22(4-2)11-10-15-16(23)12-17(24)20-18(25)13-19(26-21(15)20)14-8-6-5-7-9-14/h5-9,12,19,23-24H,3-4,10-11,13H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one?
(2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 355.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-[2-(diethylamino)ethyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 3075481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).