8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one

C20H19NO4 — CID 11660078

IUPAC8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccc(CO)cc3)cccc12
InChIInChI=1S/C20H19NO4/c22-13-14-4-6-15(7-5-14)16-2-1-3-17-18(23)12-19(25-20(16)17)21-8-10-24-11-9-21/h1-7,12,22H,8-11,13H2
InChIKeyGQVASXBFAOLNLS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.79
Rot. Bonds3

About 8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one

8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one (PubChem CID 11660078) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one
PubChem CID11660078
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2c(-c3ccc(CO)cc3)cccc12
InChIInChI=1S/C20H19NO4/c22-13-14-4-6-15(7-5-14)16-2-1-3-17-18(23)12-19(25-20(16)17)21-8-10-24-11-9-21/h1-7,12,22H,8-11,13H2
InChIKeyGQVASXBFAOLNLS-UHFFFAOYSA-N
XLogP2.79
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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NU-7026
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2-morpholino-4H-benzo[g]chromen-4-one
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8-(4-Acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
8-Methyl-2-morpholin-4-yl-chromen-4-one
CID 10083230
2-morpholino-8-(2-phenylethynyl)-4H-chromen-4-one
CID 10359339
8-Phenyl-2-piperidin-1-yl-chromen-4-one
CID 11185819
2-[1,4]Oxazepan-4-yl-benzo[h]chromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one (CID 11660078) is 8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2c(-c3ccc(CO)cc3)cccc12.
What is the InChIKey of 8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one?
The InChIKey is GQVASXBFAOLNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-13-14-4-6-15(7-5-14)16-2-1-3-17-18(23)12-19(25-20(16)17)21-8-10-24-11-9-21/h1-7,12,22H,8-11,13H2.
What are the key properties of 8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one?
8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one has a molecular weight of 337.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(hydroxymethyl)phenyl]-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 11660078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).