7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one

C14H19NO4 — CID 59761698

IUPAC7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one
SMILESCc1cc(OCC(O)CN)cc2c1C(=O)CC(C)O2
InChIInChI=1S/C14H19NO4/c1-8-3-11(18-7-10(16)6-15)5-13-14(8)12(17)4-9(2)19-13/h3,5,9-10,16H,4,6-7,15H2,1-2H3
InChIKeyUGHWNSCNEFQHHH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.05
Rot. Bonds4

About 7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one

7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one (PubChem CID 59761698) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one
PubChem CID59761698
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one
SMILESCc1cc(OCC(O)CN)cc2c1C(=O)CC(C)O2
InChIInChI=1S/C14H19NO4/c1-8-3-11(18-7-10(16)6-15)5-13-14(8)12(17)4-9(2)19-13/h3,5,9-10,16H,4,6-7,15H2,1-2H3
InChIKeyUGHWNSCNEFQHHH-UHFFFAOYSA-N
XLogP1.05
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one (CID 59761698) is 7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one is Cc1cc(OCC(O)CN)cc2c1C(=O)CC(C)O2.
What is the InChIKey of 7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one?
The InChIKey is UGHWNSCNEFQHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-3-11(18-7-10(16)6-15)5-13-14(8)12(17)4-9(2)19-13/h3,5,9-10,16H,4,6-7,15H2,1-2H3.
What are the key properties of 7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one?
7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one has a molecular weight of 265.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-2-hydroxypropoxy)-2,5-dimethyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 59761698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).