2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one

C21H21NO5 — CID 162359881

IUPAC2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2cc(OCCN3CCOCC3)ccc12
InChIInChI=1S/C21H21NO5/c23-16-3-1-15(2-4-16)20-14-19(24)18-6-5-17(13-21(18)27-20)26-12-9-22-7-10-25-11-8-22/h1-6,13-14,23H,7-12H2
InChIKeyXRZWWKOTVBETQI-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.88
Rot. Bonds5

About 2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one

2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one (PubChem CID 162359881) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
PubChem CID162359881
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
SMILESO=c1cc(-c2ccc(O)cc2)oc2cc(OCCN3CCOCC3)ccc12
InChIInChI=1S/C21H21NO5/c23-16-3-1-15(2-4-16)20-14-19(24)18-6-5-17(13-21(18)27-20)26-12-9-22-7-10-25-11-8-22/h1-6,13-14,23H,7-12H2
InChIKeyXRZWWKOTVBETQI-UHFFFAOYSA-N
XLogP2.88
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
CID 56640470
7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one
CID 10182867
5-hydroxy-7-(2-morpholin-4-ylethoxy)-2-(3,4,5-trihydroxyphenyl)chromen-4-one;hydrochloride
CID 142688406
4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
CID 71818110
3-(4-chlorophenyl)-7-hydroxy-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-2-one
CID 10204938
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
7-(4-hydroxyphenyl)-8-[4-(2-morpholin-4-ylethoxy)phenyl]-5,6-dihydronaphthalen-2-ol
CID 155535063
(NZ)-N-[7-methoxy-2-[4-(4-morpholin-4-ylbutoxy)phenyl]chromen-4-ylidene]hydroxylamine
CID 87613756
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzoselenophen-3-yl]-[4-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 118717362
1-[2-[7-[2-(azetidin-1-yl)ethoxy]dibenzofuran-3-yl]oxyethyl]azetidine
CID 57439372
5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one
CID 134122328

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one (CID 162359881) is 2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one is O=c1cc(-c2ccc(O)cc2)oc2cc(OCCN3CCOCC3)ccc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one?
The InChIKey is XRZWWKOTVBETQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c23-16-3-1-15(2-4-16)20-14-19(24)18-6-5-17(13-21(18)27-20)26-12-9-22-7-10-25-11-8-22/h1-6,13-14,23H,7-12H2.
What are the key properties of 2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one?
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one has a molecular weight of 367.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one is sourced from PubChem (CID 162359881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).