7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one

C23H23NO5 — CID 41091483

IUPAC7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one
SMILESC[C@@H]1CN(C(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)C[C@@H](C)O1
InChIInChI=1S/C23H23NO5/c1-15-11-24(12-16(2)29-15)22(25)14-27-18-8-9-19-21(10-18)28-13-20(23(19)26)17-6-4-3-5-7-17/h3-10,13,15-16H,11-12,14H2,1-2H3/t15-,16-/m1/s1
InChIKeyHYPYXCDOMVKBMZ-HZPDHXFCSA-N
MW393.44 g/mol
LogP3.47
Rot. Bonds4

About 7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one

7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one (PubChem CID 41091483) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is 7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one.

Molecular Properties

Compound Name7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one
PubChem CID41091483
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one
SMILESC[C@@H]1CN(C(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)C[C@@H](C)O1
InChIInChI=1S/C23H23NO5/c1-15-11-24(12-16(2)29-15)22(25)14-27-18-8-9-19-21(10-18)28-13-20(23(19)26)17-6-4-3-5-7-17/h3-10,13,15-16H,11-12,14H2,1-2H3/t15-,16-/m1/s1
InChIKeyHYPYXCDOMVKBMZ-HZPDHXFCSA-N
XLogP3.47
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 40899939
3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one
CID 41118369
7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 40919216
7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641848
7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641888
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
11-[2-(4-oxo-3-phenylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 162915727
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
N-cyclopentyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641790
7-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-3-(4-tert-butylphenyl)chromen-4-one
CID 121309110
(4-oxo-3-phenylchromen-7-yl) 2-phenoxyacetate
CID 8913011

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
The IUPAC name of 7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one (CID 41091483) is 7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one.
What is the SMILES notation for 7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
The canonical SMILES for 7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one is C[C@@H]1CN(C(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2)C[C@@H](C)O1.
What is the InChIKey of 7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
The InChIKey is HYPYXCDOMVKBMZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H23NO5/c1-15-11-24(12-16(2)29-15)22(25)14-27-18-8-9-19-21(10-18)28-13-20(23(19)26)17-6-4-3-5-7-17/h3-10,13,15-16H,11-12,14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of 7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one?
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one has a molecular weight of 393.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one is sourced from PubChem (CID 41091483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).