7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one

C22H23NO5 — CID 15650857

IUPAC7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
SMILESCOc1ccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2C)cc1
InChIInChI=1S/C22H23NO5/c1-15-20(27-14-16-3-5-17(25-2)6-4-16)8-7-18-19(24)13-21(28-22(15)18)23-9-11-26-12-10-23/h3-8,13H,9-12,14H2,1-2H3
InChIKeyMALHEQSGVSDIRM-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.53
Rot. Bonds5

About 7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one

7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one (PubChem CID 15650857) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
PubChem CID15650857
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one
SMILESCOc1ccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2C)cc1
InChIInChI=1S/C22H23NO5/c1-15-20(27-14-16-3-5-17(25-2)6-4-16)8-7-18-19(24)13-21(28-22(15)18)23-9-11-26-12-10-23/h3-8,13H,9-12,14H2,1-2H3
InChIKeyMALHEQSGVSDIRM-UHFFFAOYSA-N
XLogP3.53
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one (CID 15650857) is 7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one is COc1ccc(COc2ccc3c(=O)cc(N4CCOCC4)oc3c2C)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one?
The InChIKey is MALHEQSGVSDIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-15-20(27-14-16-3-5-17(25-2)6-4-16)8-7-18-19(24)13-21(28-22(15)18)23-9-11-26-12-10-23/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one?
7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one has a molecular weight of 381.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methoxy]-8-methyl-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 15650857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).