2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one

C27H25NO5 — CID 175951658

IUPAC2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(-c3ccc(N4CCCC4)cc3)c(-c3ccc(O)cc3)oc2c1
InChIInChI=1S/C27H25NO5/c1-31-21-15-22(32-2)25-23(16-21)33-27(18-7-11-20(29)12-8-18)24(26(25)30)17-5-9-19(10-6-17)28-13-3-4-14-28/h5-12,15-16,29H,3-4,13-14H2,1-2H3
InChIKeyGCHZJKJEIJQYIE-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.45
Rot. Bonds5

About 2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one

2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one (PubChem CID 175951658) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one
PubChem CID175951658
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)c(-c3ccc(N4CCCC4)cc3)c(-c3ccc(O)cc3)oc2c1
InChIInChI=1S/C27H25NO5/c1-31-21-15-22(32-2)25-23(16-21)33-27(18-7-11-20(29)12-8-18)24(26(25)30)17-5-9-19(10-6-17)28-13-3-4-14-28/h5-12,15-16,29H,3-4,13-14H2,1-2H3
InChIKeyGCHZJKJEIJQYIE-UHFFFAOYSA-N
XLogP5.45
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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5,7-dimethoxy-2-(2-oxochromen-3-yl)-3-phenylchromen-4-one
CID 102256311
6-hydroxy-1,3,5,7-tetramethoxyxanthen-9-one
CID 102460794
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CID 165142376
2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
CID 123956955
benzyl 5,7-dimethoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carboxylate
CID 134911539
4-[2,3-bis(4-methoxyphenyl)-1-benzofuran-5-yl]morpholine
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4,5,7-trimethoxy-3-(4-methoxyphenyl)chromen-2-one
CID 631155
2-[2-[4-(dimethylamino)phenyl]-4-hydroxyphenyl]-5,7-dimethoxychromen-4-one
CID 175483578
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one (CID 175951658) is 2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one is COc1cc(OC)c2c(=O)c(-c3ccc(N4CCCC4)cc3)c(-c3ccc(O)cc3)oc2c1.
What is the InChIKey of 2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one?
The InChIKey is GCHZJKJEIJQYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-31-21-15-22(32-2)25-23(16-21)33-27(18-7-11-20(29)12-8-18)24(26(25)30)17-5-9-19(10-6-17)28-13-3-4-14-28/h5-12,15-16,29H,3-4,13-14H2,1-2H3.
What are the key properties of 2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one?
2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one has a molecular weight of 443.50 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-5,7-dimethoxy-3-(4-pyrrolidin-1-ylphenyl)chromen-4-one is sourced from PubChem (CID 175951658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).