7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one

C24H27NO4 — CID 11675561

IUPAC7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one
SMILESCC(C)(C)c1ccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1
InChIInChI=1S/C24H27NO4/c1-24(2,3)18-6-4-17(5-7-18)16-28-19-8-9-20-21(26)15-23(29-22(20)14-19)25-10-12-27-13-11-25/h4-9,14-15H,10-13,16H2,1-3H3
InChIKeySORDPLLOPMGSHT-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.51
Rot. Bonds4

About 7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one

7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one (PubChem CID 11675561) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one
PubChem CID11675561
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one
SMILESCC(C)(C)c1ccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1
InChIInChI=1S/C24H27NO4/c1-24(2,3)18-6-4-17(5-7-18)16-28-19-8-9-20-21(26)15-23(29-22(20)14-19)25-10-12-27-13-11-25/h4-9,14-15H,10-13,16H2,1-3H3
InChIKeySORDPLLOPMGSHT-UHFFFAOYSA-N
XLogP4.51
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2H-cyclopenta[c]pyridin-1-ylmethoxy)-2-morpholin-4-ylchromen-4-one
CID 21460267
7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
CID 15650857
2-[3-(2-morpholin-4-yl-4-oxochromen-7-yl)oxypropyl]isoindole-1,3-dione
CID 11676414
2-morpholin-4-yl-8-(4-phenylmethoxyphenyl)chromen-4-one
CID 11697295
6-(4-methoxyphenyl)-2-morpholin-4-ylchromen-4-one
CID 11522901
8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one
CID 21460068
2-(aminomethyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one;ethane
CID 145235878
methyl methanesulfonate;2-morpholin-4-ylchromen-4-one
CID 91025278
4-[[4-(morpholin-4-ylmethyl)-2-oxochromen-7-yl]oxymethyl]benzenesulfonamide
CID 177381246
7-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxochromene-2-carboxamide
CID 51998270
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
8-methyl-2-morpholin-4-yl-7-(pyridin-3-ylmethoxy)chromen-4-one
CID 15650862

Frequently Asked Questions

What is the IUPAC name of 7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one (CID 11675561) is 7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one is CC(C)(C)c1ccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1.
What is the InChIKey of 7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one?
The InChIKey is SORDPLLOPMGSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-24(2,3)18-6-4-17(5-7-18)16-28-19-8-9-20-21(26)15-23(29-22(20)14-19)25-10-12-27-13-11-25/h4-9,14-15H,10-13,16H2,1-3H3.
What are the key properties of 7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one?
7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one has a molecular weight of 393.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-tert-butylphenyl)methoxy]-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 11675561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).