4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one

C21H14O7 — CID 54677997

IUPAC4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
SMILESO=C(Cc1c(O)c2ccccc2oc1=O)Cc1c(O)c2ccccc2oc1=O
InChIInChI=1S/C21H14O7/c22-11(9-14-18(23)12-5-1-3-7-16(12)27-20(14)25)10-15-19(24)13-6-2-4-8-17(13)28-21(15)26/h1-8,23-24H,9-10H2
InChIKeyFVPAVKGXKLAPTB-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.66
Rot. Bonds4

About 4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one

4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one (PubChem CID 54677997) has the molecular formula C21H14O7 and a molecular weight of 378.34 g/mol. Its IUPAC name is 4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
PubChem CID54677997
Molecular FormulaC21H14O7
Molecular Weight378.34 g/mol
Exact Mass378.07
IUPAC Name4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
SMILESO=C(Cc1c(O)c2ccccc2oc1=O)Cc1c(O)c2ccccc2oc1=O
InChIInChI=1S/C21H14O7/c22-11(9-14-18(23)12-5-1-3-7-16(12)27-20(14)25)10-15-19(24)13-6-2-4-8-17(13)28-21(15)26/h1-8,23-24H,9-10H2
InChIKeyFVPAVKGXKLAPTB-UHFFFAOYSA-N
XLogP2.66
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-prop-2-enylchromen-2-one
CID 54710499
4-hydroxy-3-[[3-[(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]methyl]chromen-2-one
CID 54706563
3-benzyl-4-hydroxychromen-2-one;ethane
CID 91487265
4-hydroxy-3-(3-methylbut-2-enyl)chromen-2-one
CID 54706607
acetic acid;3-benzyl-4-hydroxychromen-2-one;methane
CID 160553428
methyl 2-[(4-hydroxy-2-oxochromen-3-yl)methyl]benzoate
CID 54690322
2-[(4-hydroxy-2-oxochromen-3-yl)methyl]isoindole-1,3-dione
CID 54676492
4-hydroxy-3-[(4-methylphenyl)methyl]chromen-2-one
CID 76852674
4-hydroxy-3-sulfanylchromen-2-one
CID 54676635
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-4-hydroxychromen-2-one
CID 54679774
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-thiophen-2-ylpropyl]chromen-2-one
CID 121000083
4-hydroxy-3-methylchromen-2-one
CID 54687016

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one (CID 54677997) is 4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one is O=C(Cc1c(O)c2ccccc2oc1=O)Cc1c(O)c2ccccc2oc1=O.
What is the InChIKey of 4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one?
The InChIKey is FVPAVKGXKLAPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O7/c22-11(9-14-18(23)12-5-1-3-7-16(12)27-20(14)25)10-15-19(24)13-6-2-4-8-17(13)28-21(15)26/h1-8,23-24H,9-10H2.
What are the key properties of 4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one?
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one has a molecular weight of 378.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one is sourced from PubChem (CID 54677997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).