3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one

C32H28O8 — CID 6710674

IUPAC3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one
SMILESCOc1cc(-c2coc3cc(OCc4ccccc4)c(OC)c(O)c3c2=O)cc(OCc2ccccc2)c1OC
InChIInChI=1S/C32H28O8/c1-35-25-14-22(15-26(31(25)36-2)38-17-20-10-6-4-7-11-20)23-19-40-24-16-27(39-18-21-12-8-5-9-13-21)32(37-3)30(34)28(24)29(23)33/h4-16,19,34H,17-18H2,1-3H3
InChIKeyBDFCYBFDARSRDM-UHFFFAOYSA-N
MW540.57 g/mol
LogP6.35
Rot. Bonds10

About 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one

3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one (PubChem CID 6710674) has the molecular formula C32H28O8 and a molecular weight of 540.57 g/mol. Its IUPAC name is 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one
PubChem CID6710674
Molecular FormulaC32H28O8
Molecular Weight540.57 g/mol
Exact Mass540.18
IUPAC Name3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one
SMILESCOc1cc(-c2coc3cc(OCc4ccccc4)c(OC)c(O)c3c2=O)cc(OCc2ccccc2)c1OC
InChIInChI=1S/C32H28O8/c1-35-25-14-22(15-26(31(25)36-2)38-17-20-10-6-4-7-11-20)23-19-40-24-16-27(39-18-21-12-8-5-9-13-21)32(37-3)30(34)28(24)29(23)33/h4-16,19,34H,17-18H2,1-3H3
InChIKeyBDFCYBFDARSRDM-UHFFFAOYSA-N
XLogP6.35
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.57
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one?
The IUPAC name of 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one (CID 6710674) is 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one?
The canonical SMILES for 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one is COc1cc(-c2coc3cc(OCc4ccccc4)c(OC)c(O)c3c2=O)cc(OCc2ccccc2)c1OC.
What is the InChIKey of 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one?
The InChIKey is BDFCYBFDARSRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O8/c1-35-25-14-22(15-26(31(25)36-2)38-17-20-10-6-4-7-11-20)23-19-40-24-16-27(39-18-21-12-8-5-9-13-21)32(37-3)30(34)28(24)29(23)33/h4-16,19,34H,17-18H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one?
3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one has a molecular weight of 540.57 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxy-5-phenylmethoxyphenyl)-5-hydroxy-6-methoxy-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 6710674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).