7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one

C31H26O6 — CID 178187643

IUPAC7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
SMILESCOc1cc(OCc2ccccc2)c2c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc2c1OC
InChIInChI=1S/C31H26O6/c1-33-28-18-27(36-20-22-11-7-4-8-12-22)29-25(32)17-26(37-31(29)30(28)34-2)23-13-15-24(16-14-23)35-19-21-9-5-3-6-10-21/h3-18H,19-20H2,1-2H3
InChIKeyYGSQVRXAXLTQAE-UHFFFAOYSA-N
MW494.54 g/mol
LogP6.64
Rot. Bonds9

About 7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one

7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one (PubChem CID 178187643) has the molecular formula C31H26O6 and a molecular weight of 494.54 g/mol. Its IUPAC name is 7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
PubChem CID178187643
Molecular FormulaC31H26O6
Molecular Weight494.54 g/mol
Exact Mass494.17
IUPAC Name7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
SMILESCOc1cc(OCc2ccccc2)c2c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc2c1OC
InChIInChI=1S/C31H26O6/c1-33-28-18-27(36-20-22-11-7-4-8-12-22)29-25(32)17-26(37-31(29)30(28)34-2)23-13-15-24(16-14-23)35-19-21-9-5-3-6-10-21/h3-18H,19-20H2,1-2H3
InChIKeyYGSQVRXAXLTQAE-UHFFFAOYSA-N
XLogP6.64
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.54
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one
CID 175483598
[7,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 23259396
8-methoxy-2-[4-[methyl-[methyl(3-piperidin-1-ylpropyl)amino]amino]phenyl]-5,7-bis(phenylmethoxy)chromen-4-one
CID 164861365
2-(4-chlorophenyl)-5,7,8-trimethoxychromen-4-one
CID 86239579
N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide
CID 166063280
2-[4-[2-(1-benzylpiperidin-4-yl)ethyl-methylamino]phenyl]-8-methoxy-5,7-bis(phenylmethoxy)chromen-4-one
CID 174322334
O-[4-(5,6-dimethoxy-4-oxo-7-phenylmethoxychromen-2-yl)phenyl] methanethioate
CID 19358648
2-(4-chlorophenyl)-7-methoxy-5-phenylmethoxychromen-4-one
CID 141293952
7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde
CID 86028919
2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
CID 139217483
2-[4-[6-[benzyl(methyl)amino]hexoxy]phenyl]-5,6,7-trimethoxychromen-4-one
CID 122177812

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one?
The IUPAC name of 7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one (CID 178187643) is 7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one.
What is the SMILES notation for 7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one?
The canonical SMILES for 7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one is COc1cc(OCc2ccccc2)c2c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc2c1OC.
What is the InChIKey of 7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one?
The InChIKey is YGSQVRXAXLTQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O6/c1-33-28-18-27(36-20-22-11-7-4-8-12-22)29-25(32)17-26(37-31(29)30(28)34-2)23-13-15-24(16-14-23)35-19-21-9-5-3-6-10-21/h3-18H,19-20H2,1-2H3.
What are the key properties of 7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one?
7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one has a molecular weight of 494.54 g/mol, XLogP of 6.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one is sourced from PubChem (CID 178187643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).