6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one

C16H18ClNO4 — CID 16807630

IUPAC6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one
SMILESCC1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC(C)O1
InChIInChI=1S/C16H18ClNO4/c1-9-6-18(7-10(2)21-9)8-11-3-16(20)22-15-5-14(19)13(17)4-12(11)15/h3-5,9-10,19H,6-8H2,1-2H3
InChIKeyLZXNLEXDEHQBQT-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.76
Rot. Bonds2

About 6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one

6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one (PubChem CID 16807630) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is 6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one.

Molecular Properties

Compound Name6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one
PubChem CID16807630
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Name6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one
SMILESCC1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC(C)O1
InChIInChI=1S/C16H18ClNO4/c1-9-6-18(7-10(2)21-9)8-11-3-16(20)22-15-5-14(19)13(17)4-12(11)15/h3-5,9-10,19H,6-8H2,1-2H3
InChIKeyLZXNLEXDEHQBQT-UHFFFAOYSA-N
XLogP2.76
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one?
The IUPAC name of 6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one (CID 16807630) is 6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one.
What is the SMILES notation for 6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one?
The canonical SMILES for 6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one is CC1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC(C)O1.
What is the InChIKey of 6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one?
The InChIKey is LZXNLEXDEHQBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4/c1-9-6-18(7-10(2)21-9)8-11-3-16(20)22-15-5-14(19)13(17)4-12(11)15/h3-5,9-10,19H,6-8H2,1-2H3.
What are the key properties of 6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one?
6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one has a molecular weight of 323.78 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-7-hydroxychromen-2-one is sourced from PubChem (CID 16807630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).