4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one

C33H22O6 — CID 54685683

IUPAC4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1C(c1ccc(/C=C/c2ccccc2)cc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C33H22O6/c34-30-23-10-4-6-12-25(23)38-32(36)28(30)27(29-31(35)24-11-5-7-13-26(24)39-33(29)37)22-18-16-21(17-19-22)15-14-20-8-2-1-3-9-20/h1-19,27,34-35H/b15-14+
InChIKeyVNNIAOVTRWFYEW-CCEZHUSRSA-N
MW514.53 g/mol
LogP6.66
Rot. Bonds5

About 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one

4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one (PubChem CID 54685683) has the molecular formula C33H22O6 and a molecular weight of 514.53 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one
PubChem CID54685683
Molecular FormulaC33H22O6
Molecular Weight514.53 g/mol
Exact Mass514.14
IUPAC Name4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1C(c1ccc(/C=C/c2ccccc2)cc1)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C33H22O6/c34-30-23-10-4-6-12-25(23)38-32(36)28(30)27(29-31(35)24-11-5-7-13-26(24)39-33(29)37)22-18-16-21(17-19-22)15-14-20-8-2-1-3-9-20/h1-19,27,34-35H/b15-14+
InChIKeyVNNIAOVTRWFYEW-CCEZHUSRSA-N
XLogP6.66
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.53
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one with MolForge

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Related Compounds

3-[(3,4-dihydroxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
CID 54695589
N-[4-[bis(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]acetamide
CID 58550677
methyl 4-[bis(4-hydroxy-2-oxochromen-3-yl)methyl]benzoate
CID 54682609
3-[[4-(2-fluoroethoxy)phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
CID 134091551
3-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
CID 59746836
3-[(2,6-dichlorophenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
CID 171352988
4-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 122374532
1-[4-[bis(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]-3-(4-fluorophenyl)thiourea
CID 118855505
1-[4-[bis(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]-3-(4-chlorophenyl)thiourea
CID 118855503
4-hydroxy-3-[1-(4-hydroxyphenyl)propyl]chromen-2-one
CID 54704412
3-[(3,5-ditert-butyl-4-hydroxyphenyl)-(4-hydroxyphenyl)methyl]-4-hydroxychromen-2-one
CID 54680129
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-pyridin-2-ylmethyl]chromen-2-one
CID 54682197

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one (CID 54685683) is 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one is O=c1oc2ccccc2c(O)c1C(c1ccc(/C=C/c2ccccc2)cc1)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one?
The InChIKey is VNNIAOVTRWFYEW-CCEZHUSRSA-N. The full InChI is InChI=1S/C33H22O6/c34-30-23-10-4-6-12-25(23)38-32(36)28(30)27(29-31(35)24-11-5-7-13-26(24)39-33(29)37)22-18-16-21(17-19-22)15-14-20-8-2-1-3-9-20/h1-19,27,34-35H/b15-14+.
What are the key properties of 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one?
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one has a molecular weight of 514.53 g/mol, XLogP of 6.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-[4-[(E)-2-phenylethenyl]phenyl]methyl]chromen-2-one is sourced from PubChem (CID 54685683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).