(2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

C16H15NO3 — CID 94052387

IUPAC(2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2N)cc1
InChIInChI=1S/C16H15NO3/c1-19-11-8-6-10(7-9-11)16-14(17)15(18)12-4-2-3-5-13(12)20-16/h2-9,14,16H,17H2,1H3/t14-,16+/m1/s1
InChIKeyCNJVYMBBVJJDME-ZBFHGGJFSA-N
MW269.30 g/mol
LogP2.34
Rot. Bonds2

About (2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

(2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (PubChem CID 94052387) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
PubChem CID94052387
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILESCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2N)cc1
InChIInChI=1S/C16H15NO3/c1-19-11-8-6-10(7-9-11)16-14(17)15(18)12-4-2-3-5-13(12)20-16/h2-9,14,16H,17H2,1H3/t14-,16+/m1/s1
InChIKeyCNJVYMBBVJJDME-ZBFHGGJFSA-N
XLogP2.34
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methoxyphenyl)chromene-3,4-dione
CID 129410506
3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14713900
6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
4-methoxy-2-(4-methoxyphenyl)-2H-chromene
CID 154356806
(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 12753183
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
[(2R,3R)-7-methoxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate
CID 14539349
2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
CID 10777318
3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenyl-2,3-dihydrochromen-4-one
CID 23910632
(2S,3R)-3,5,7-trihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 162915885
7-chloro-2-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 10786053
(2R)-2-(4-methoxyphenyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-2H-1,3-benzoxazin-4-one
CID 7574533

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of (2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one (CID 94052387) is (2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2N)cc1.
What is the InChIKey of (2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is CNJVYMBBVJJDME-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-11-8-6-10(7-9-11)16-14(17)15(18)12-4-2-3-5-13(12)20-16/h2-9,14,16H,17H2,1H3/t14-,16+/m1/s1.
What are the key properties of (2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one?
(2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 269.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 94052387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).