(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane

C17H18O5 — CID 66777697

IUPAC(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane
SMILESCOC.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C15H12O4.C2H6O/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14;1-3-2/h1-7,14,16-17H,8H2;1-2H3/t14-;/m0./s1
InChIKeyNTJMXUQFRMGGHR-UQKRIMTDSA-N
MW302.33 g/mol
LogP3.07
Rot. Bonds1

About (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane

(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane (PubChem CID 66777697) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane.

Molecular Properties

Compound Name(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane
PubChem CID66777697
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane
SMILESCOC.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C15H12O4.C2H6O/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14;1-3-2/h1-7,14,16-17H,8H2;1-2H3/t14-;/m0./s1
InChIKeyNTJMXUQFRMGGHR-UQKRIMTDSA-N
XLogP3.07
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane?
The IUPAC name of (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane (CID 66777697) is (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane.
What is the SMILES notation for (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane?
The canonical SMILES for (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane is COC.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21.
What is the InChIKey of (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane?
The InChIKey is NTJMXUQFRMGGHR-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H12O4.C2H6O/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14;1-3-2/h1-7,14,16-17H,8H2;1-2H3/t14-;/m0./s1.
What are the key properties of (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane?
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane has a molecular weight of 302.33 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;methoxymethane is sourced from PubChem (CID 66777697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).