3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine

C26H35NO4 — CID 156870866

IUPAC3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1.O=C1c2ccc(OCc3ccccc3)cc2OCC1CO
InChIInChI=1S/C17H16O4.C9H19N/c18-9-13-11-21-16-8-14(6-7-15(16)17(13)19)20-10-12-4-2-1-3-5-12;1-8(2)6-5-7-9(3,4)10-8/h1-8,13,18H,9-11H2;10H,5-7H2,1-4H3
InChIKeyXSVSSQWMSQSXID-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.77
Rot. Bonds4

About 3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine

3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine (PubChem CID 156870866) has the molecular formula C26H35NO4 and a molecular weight of 425.57 g/mol. Its IUPAC name is 3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine
PubChem CID156870866
Molecular FormulaC26H35NO4
Molecular Weight425.57 g/mol
Exact Mass425.26
IUPAC Name3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1.O=C1c2ccc(OCc3ccccc3)cc2OCC1CO
InChIInChI=1S/C17H16O4.C9H19N/c18-9-13-11-21-16-8-14(6-7-15(16)17(13)19)20-10-12-4-2-1-3-5-12;1-8(2)6-5-7-9(3,4)10-8/h1-8,13,18H,9-11H2;10H,5-7H2,1-4H3
InChIKeyXSVSSQWMSQSXID-UHFFFAOYSA-N
XLogP4.77
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine?
The IUPAC name of 3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine (CID 156870866) is 3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1.O=C1c2ccc(OCc3ccccc3)cc2OCC1CO.
What is the InChIKey of 3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine?
The InChIKey is XSVSSQWMSQSXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4.C9H19N/c18-9-13-11-21-16-8-14(6-7-15(16)17(13)19)20-10-12-4-2-1-3-5-12;1-8(2)6-5-7-9(3,4)10-8/h1-8,13,18H,9-11H2;10H,5-7H2,1-4H3.
What are the key properties of 3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine?
3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine has a molecular weight of 425.57 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-7-phenylmethoxy-2,3-dihydrochromen-4-one;2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 156870866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).