3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one

C29H22O6 — CID 12775837

IUPAC3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
SMILESO=c1c(O)c(-c2ccc(OCc3ccccc3)cc2)oc2cc(OCc3ccccc3)cc(O)c12
InChIInChI=1S/C29H22O6/c30-24-15-23(34-18-20-9-5-2-6-10-20)16-25-26(24)27(31)28(32)29(35-25)21-11-13-22(14-12-21)33-17-19-7-3-1-4-8-19/h1-16,30,32H,17-18H2
InChIKeyDONNDJBIKGUZDG-UHFFFAOYSA-N
MW466.49 g/mol
LogP6.03
Rot. Bonds7

About 3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one

3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one (PubChem CID 12775837) has the molecular formula C29H22O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is 3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
PubChem CID12775837
Molecular FormulaC29H22O6
Molecular Weight466.49 g/mol
Exact Mass466.14
IUPAC Name3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
SMILESO=c1c(O)c(-c2ccc(OCc3ccccc3)cc2)oc2cc(OCc3ccccc3)cc(O)c12
InChIInChI=1S/C29H22O6/c30-24-15-23(34-18-20-9-5-2-6-10-20)16-25-26(24)27(31)28(32)29(35-25)21-11-13-22(14-12-21)33-17-19-7-3-1-4-8-19/h1-16,30,32H,17-18H2
InChIKeyDONNDJBIKGUZDG-UHFFFAOYSA-N
XLogP6.03
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.49
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one?
The IUPAC name of 3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one (CID 12775837) is 3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one.
What is the SMILES notation for 3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one?
The canonical SMILES for 3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one is O=c1c(O)c(-c2ccc(OCc3ccccc3)cc2)oc2cc(OCc3ccccc3)cc(O)c12.
What is the InChIKey of 3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one?
The InChIKey is DONNDJBIKGUZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O6/c30-24-15-23(34-18-20-9-5-2-6-10-20)16-25-26(24)27(31)28(32)29(35-25)21-11-13-22(14-12-21)33-17-19-7-3-1-4-8-19/h1-16,30,32H,17-18H2.
What are the key properties of 3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one?
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one has a molecular weight of 466.49 g/mol, XLogP of 6.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one is sourced from PubChem (CID 12775837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).