6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one

C33H24O7 — CID 146412107

IUPAC6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one
SMILESO=c1oc2ccc(OCC(O)COc3ccc4oc(=O)c(-c5ccccc5)cc4c3)cc2cc1-c1ccccc1
InChIInChI=1S/C33H24O7/c34-25(19-37-26-11-13-30-23(15-26)17-28(32(35)39-30)21-7-3-1-4-8-21)20-38-27-12-14-31-24(16-27)18-29(33(36)40-31)22-9-5-2-6-10-22/h1-18,25,34H,19-20H2
InChIKeyXQZZDURNOMYAML-UHFFFAOYSA-N
MW532.55 g/mol
LogP6.05
Rot. Bonds8

About 6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one

6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one (PubChem CID 146412107) has the molecular formula C33H24O7 and a molecular weight of 532.55 g/mol. Its IUPAC name is 6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one.

Molecular Properties

Compound Name6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one
PubChem CID146412107
Molecular FormulaC33H24O7
Molecular Weight532.55 g/mol
Exact Mass532.15
IUPAC Name6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one
SMILESO=c1oc2ccc(OCC(O)COc3ccc4oc(=O)c(-c5ccccc5)cc4c3)cc2cc1-c1ccccc1
InChIInChI=1S/C33H24O7/c34-25(19-37-26-11-13-30-23(15-26)17-28(32(35)39-30)21-7-3-1-4-8-21)20-38-27-12-14-31-24(16-27)18-29(33(36)40-31)22-9-5-2-6-10-22/h1-18,25,34H,19-20H2
InChIKeyXQZZDURNOMYAML-UHFFFAOYSA-N
XLogP6.05
TPSA99.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.55
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylchromen-2-one
CID 44963468
3-phenylchromen-2-one;hydrochloride
CID 141206894
3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
CID 2062832
3-(4-methylphenyl)-6-phenylchromen-2-one
CID 89166486
7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062838
7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one
CID 153454846
[3,3,3-trifluoro-2-[(2-oxo-3-phenylchromen-7-yl)oxymethyl]propyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 155262685
7-[(3,4-dichlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062848
3-(2,6-diethylphenyl)-6-ethoxychromen-2-one
CID 146221068
[5-hydroxy-6-(2-oxo-3-phenylchromen-7-yl)oxyhexyl] prop-2-enoate;7-hydroxy-3-phenylchromen-2-one;4-(oxiran-2-yl)butyl prop-2-enoate
CID 158810855
7-(3-hydroxypentyl)-3-phenylchromen-2-one
CID 146412094
2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide
CID 42536387

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one?
The IUPAC name of 6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one (CID 146412107) is 6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one.
What is the SMILES notation for 6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one?
The canonical SMILES for 6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one is O=c1oc2ccc(OCC(O)COc3ccc4oc(=O)c(-c5ccccc5)cc4c3)cc2cc1-c1ccccc1.
What is the InChIKey of 6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one?
The InChIKey is XQZZDURNOMYAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24O7/c34-25(19-37-26-11-13-30-23(15-26)17-28(32(35)39-30)21-7-3-1-4-8-21)20-38-27-12-14-31-24(16-27)18-29(33(36)40-31)22-9-5-2-6-10-22/h1-18,25,34H,19-20H2.
What are the key properties of 6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one?
6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one has a molecular weight of 532.55 g/mol, XLogP of 6.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one is sourced from PubChem (CID 146412107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).