3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one

C35H28O10 — CID 102347784

IUPAC3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(-c3cc(OC)c(O)cc3-c3cc(OC)c(OC)cc3-c3coc4cc(OC)ccc4c3=O)coc2c1
InChIInChI=1S/C35H28O10/c1-39-18-6-8-20-29(10-18)44-16-26(34(20)37)24-13-31(41-3)28(36)12-22(24)23-14-32(42-4)33(43-5)15-25(23)27-17-45-30-11-19(40-2)7-9-21(30)35(27)38/h6-17,36H,1-5H3
InChIKeyUPMJRDJPZJMOKA-UHFFFAOYSA-N
MW608.60 g/mol
LogP6.65
Rot. Bonds8

About 3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one

3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one (PubChem CID 102347784) has the molecular formula C35H28O10 and a molecular weight of 608.60 g/mol. Its IUPAC name is 3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one.

Molecular Properties

Compound Name3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
PubChem CID102347784
Molecular FormulaC35H28O10
Molecular Weight608.60 g/mol
Exact Mass608.17
IUPAC Name3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(-c3cc(OC)c(O)cc3-c3cc(OC)c(OC)cc3-c3coc4cc(OC)ccc4c3=O)coc2c1
InChIInChI=1S/C35H28O10/c1-39-18-6-8-20-29(10-18)44-16-26(34(20)37)24-13-31(41-3)28(36)12-22(24)23-14-32(42-4)33(43-5)15-25(23)27-17-45-30-11-19(40-2)7-9-21(30)35(27)38/h6-17,36H,1-5H3
InChIKeyUPMJRDJPZJMOKA-UHFFFAOYSA-N
XLogP6.65
TPSA126.80 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.60
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-hydroxy-7-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
CID 15485381
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
2-(7-methoxy-4-oxochromen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 10493126
6,7-dimethoxy-3-(3-methoxyphenyl)chromen-4-one
CID 15228899
7-hydroxy-3-(3-hydroxy-5-methoxyphenyl)-6-methoxychromen-4-one
CID 16743458
7-hydroxy-6-methoxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one
CID 169433907
3-(3-hydroxy-4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-4-one
CID 13467712
2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 906607
2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetate
CID 4672101
3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169
3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one
CID 69367923

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one?
The IUPAC name of 3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one (CID 102347784) is 3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one.
What is the SMILES notation for 3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one?
The canonical SMILES for 3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one is COc1ccc2c(=O)c(-c3cc(OC)c(O)cc3-c3cc(OC)c(OC)cc3-c3coc4cc(OC)ccc4c3=O)coc2c1.
What is the InChIKey of 3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one?
The InChIKey is UPMJRDJPZJMOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28O10/c1-39-18-6-8-20-29(10-18)44-16-26(34(20)37)24-13-31(41-3)28(36)12-22(24)23-14-32(42-4)33(43-5)15-25(23)27-17-45-30-11-19(40-2)7-9-21(30)35(27)38/h6-17,36H,1-5H3.
What are the key properties of 3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one?
3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one has a molecular weight of 608.60 g/mol, XLogP of 6.65, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4,5-dimethoxy-2-(7-methoxy-4-oxochromen-3-yl)phenyl]-4-hydroxy-5-methoxyphenyl]-7-methoxychromen-4-one is sourced from PubChem (CID 102347784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).