2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one

C27H26O7 — CID 59838501

IUPAC2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(OCCc3ccccc3)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C27H26O7/c1-29-19-15-22(32-4)24-23(16-19)34-26(18-10-11-20(30-2)21(14-18)31-3)27(25(24)28)33-13-12-17-8-6-5-7-9-17/h5-11,14-16H,12-13H2,1-4H3
InChIKeyZLVNJRJSDMXMGT-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.12
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one

2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one (PubChem CID 59838501) has the molecular formula C27H26O7 and a molecular weight of 462.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one
PubChem CID59838501
Molecular FormulaC27H26O7
Molecular Weight462.50 g/mol
Exact Mass462.17
IUPAC Name2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(OCCc3ccccc3)c(-c3ccc(OC)c(OC)c3)oc2c1
InChIInChI=1S/C27H26O7/c1-29-19-15-22(32-4)24-23(16-19)34-26(18-10-11-20(30-2)21(14-18)31-3)27(25(24)28)33-13-12-17-8-6-5-7-9-17/h5-11,14-16H,12-13H2,1-4H3
InChIKeyZLVNJRJSDMXMGT-UHFFFAOYSA-N
XLogP5.12
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-3-(3-hydroxypropoxy)-5,7-dimethoxychromen-4-one
CID 101179168
2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one
CID 97032110
3-[2-(4-acetylphenoxy)ethoxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 15965500
[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl] 2-(4-phenylphenyl)acetate
CID 46702115
6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-3-(2-phenylethoxy)chromen-4-one
CID 21001406
5-[1-[4-[2-[2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxochromen-3-yl]oxyethylsulfanyl]phenyl]ethenyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91428761
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 14234930
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one
CID 58133612
3-[3-(4-acetylphenoxy)propoxy]-2-(3,4-dimethoxyphenyl)-7-ethyl-5-methoxychromen-4-one
CID 68892528
3-[3-[2-(3-fluorophenyl)-1,3-dihydrobenzimidazol-2-yl]propoxy]-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 175086256
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one (CID 59838501) is 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one is COc1cc(OC)c2c(=O)c(OCCc3ccccc3)c(-c3ccc(OC)c(OC)c3)oc2c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one?
The InChIKey is ZLVNJRJSDMXMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O7/c1-29-19-15-22(32-4)24-23(16-19)34-26(18-10-11-20(30-2)21(14-18)31-3)27(25(24)28)33-13-12-17-8-6-5-7-9-17/h5-11,14-16H,12-13H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one?
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one has a molecular weight of 462.50 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one is sourced from PubChem (CID 59838501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).