4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one

C30H18O7 — CID 122387913

IUPAC4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one
SMILESO=C(c1cccc2ccccc12)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C30H18O7/c31-26(18-13-7-9-16-8-1-2-10-17(16)18)23(24-27(32)19-11-3-5-14-21(19)36-29(24)34)25-28(33)20-12-4-6-15-22(20)37-30(25)35/h1-15,23,32-33H
InChIKeyKFSOARLHAQXYOC-UHFFFAOYSA-N
MW490.47 g/mol
LogP5.48
Rot. Bonds4

About 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one

4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one (PubChem CID 122387913) has the molecular formula C30H18O7 and a molecular weight of 490.47 g/mol. Its IUPAC name is 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one
PubChem CID122387913
Molecular FormulaC30H18O7
Molecular Weight490.47 g/mol
Exact Mass490.11
IUPAC Name4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one
SMILESO=C(c1cccc2ccccc12)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C30H18O7/c31-26(18-13-7-9-16-8-1-2-10-17(16)18)23(24-27(32)19-11-3-5-14-21(19)36-29(24)34)25-28(33)20-12-4-6-15-22(20)37-30(25)35/h1-15,23,32-33H
InChIKeyKFSOARLHAQXYOC-UHFFFAOYSA-N
XLogP5.48
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one with MolForge

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Related Compounds

3-(4-hydroxy-2-oxochromen-3-yl)-3-naphthalen-1-ylpropanoic acid
CID 87271574
3-[(2,6-dichlorophenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
CID 171352988
4-[1-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]benzo[h]chromen-2-one
CID 155811647
4-hydroxy-3-[(3R)-2-methyl-5-oxohexan-3-yl]chromen-2-one
CID 102418785
ethanol;4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 87573197
sodium 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 54710741
sodium;ethanol;bis(4-hydroxy-3-(3-oxo-1-phenylpentyl)chromen-2-one)
CID 126465817
methyl (3R)-3-(4-hydroxy-2-oxochromen-3-yl)butanoate
CID 71681617
chromen-2-one;4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
CID 87887550
3-(4-hydroxy-2-oxochromen-3-yl)-3-(4-methoxyphenyl)propanoic acid
CID 54687528
3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one
CID 54711496
4-hydroxy-3-[1-(4-hydroxyphenyl)propyl]chromen-2-one
CID 54704412

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one (CID 122387913) is 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one is O=C(c1cccc2ccccc12)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one?
The InChIKey is KFSOARLHAQXYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18O7/c31-26(18-13-7-9-16-8-1-2-10-17(16)18)23(24-27(32)19-11-3-5-14-21(19)36-29(24)34)25-28(33)20-12-4-6-15-22(20)37-30(25)35/h1-15,23,32-33H.
What are the key properties of 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one?
4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one has a molecular weight of 490.47 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[1-(4-hydroxy-2-oxochromen-3-yl)-2-naphthalen-1-yl-2-oxoethyl]chromen-2-one is sourced from PubChem (CID 122387913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).