2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol

C24H20N2O5 — CID 164998452

IUPAC2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1noc(-c2ccccc2O)n1.O=C1CC(c2ccccc2O)Oc2ccccc21
InChIInChI=1S/C15H12O3.C9H8N2O2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15;1-6-10-9(13-11-6)7-4-2-3-5-8(7)12/h1-8,15-16H,9H2;2-5,12H,1H3
InChIKeyHWQFRBDXVRKCKO-UHFFFAOYSA-N
MW416.43 g/mol
LogP4.85
Rot. Bonds2

About 2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol

2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 164998452) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID164998452
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1noc(-c2ccccc2O)n1.O=C1CC(c2ccccc2O)Oc2ccccc21
InChIInChI=1S/C15H12O3.C9H8N2O2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15;1-6-10-9(13-11-6)7-4-2-3-5-8(7)12/h1-8,15-16H,9H2;2-5,12H,1H3
InChIKeyHWQFRBDXVRKCKO-UHFFFAOYSA-N
XLogP4.85
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol (CID 164998452) is 2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol is Cc1noc(-c2ccccc2O)n1.O=C1CC(c2ccccc2O)Oc2ccccc21.
What is the InChIKey of 2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is HWQFRBDXVRKCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3.C9H8N2O2/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15;1-6-10-9(13-11-6)7-4-2-3-5-8(7)12/h1-8,15-16H,9H2;2-5,12H,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 416.43 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 164998452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).