8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one

C20H18O5 — CID 86651374

IUPAC8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2ccc(OC3CCCCO3)c(O)c2o1
InChIInChI=1S/C20H18O5/c21-17-12-15(13-6-2-1-3-7-13)14-9-10-16(19(22)20(14)25-17)24-18-8-4-5-11-23-18/h1-3,6-7,9-10,12,18,22H,4-5,8,11H2
InChIKeyKZFJKJMXIXNOPT-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.07
Rot. Bonds3

About 8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one

8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one (PubChem CID 86651374) has the molecular formula C20H18O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is 8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one.

Molecular Properties

Compound Name8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one
PubChem CID86651374
Molecular FormulaC20H18O5
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one
SMILESO=c1cc(-c2ccccc2)c2ccc(OC3CCCCO3)c(O)c2o1
InChIInChI=1S/C20H18O5/c21-17-12-15(13-6-2-1-3-7-13)14-9-10-16(19(22)20(14)25-17)24-18-8-4-5-11-23-18/h1-3,6-7,9-10,12,18,22H,4-5,8,11H2
InChIKeyKZFJKJMXIXNOPT-UHFFFAOYSA-N
XLogP4.07
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(2-fluoroethoxy)-7-(oxan-2-yloxy)-4-phenylchromen-2-one
CID 86651375
7-(2-aminoethoxy)-8-hydroxy-4-phenylchromen-2-one
CID 143848879
2-(2,4-dimethyl-6-phenylphenoxy)oxane
CID 159035357
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
3-[2-(oxan-2-yloxy)phenyl]benzamide
CID 139985534
1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
CID 58975274
2-methyl-2-(8-methyl-2-oxo-4-phenylchromen-7-yl)oxypropanoic acid
CID 20991063
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
7-[2-(4-bromophenyl)-2-oxoethoxy]-8-methyl-4-phenylchromen-2-one
CID 4914745
6,7-dimethyl-5-(oxan-2-yloxy)-1-benzofuran-2-carboxylic acid
CID 22026149
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one?
The IUPAC name of 8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one (CID 86651374) is 8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one.
What is the SMILES notation for 8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one?
The canonical SMILES for 8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one is O=c1cc(-c2ccccc2)c2ccc(OC3CCCCO3)c(O)c2o1.
What is the InChIKey of 8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one?
The InChIKey is KZFJKJMXIXNOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5/c21-17-12-15(13-6-2-1-3-7-13)14-9-10-16(19(22)20(14)25-17)24-18-8-4-5-11-23-18/h1-3,6-7,9-10,12,18,22H,4-5,8,11H2.
What are the key properties of 8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one?
8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one has a molecular weight of 338.36 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one is sourced from PubChem (CID 86651374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).