2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid

C26H18O8 — CID 135638908

IUPAC2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid
SMILESCOc1ccc(-c2oc3cc(O)c4c(=O)c(-c5ccc(O)cc5)coc4c3c2CC(=O)O)cc1
InChIInChI=1S/C26H18O8/c1-32-16-8-4-14(5-9-16)25-17(10-21(29)30)22-20(34-25)11-19(28)23-24(31)18(12-33-26(22)23)13-2-6-15(27)7-3-13/h2-9,11-12,27-28H,10H2,1H3,(H,29,30)
InChIKeyIGSQUFMEIMCWSW-UHFFFAOYSA-N
MW458.42 g/mol
LogP4.92
Rot. Bonds5

About 2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid

2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid (PubChem CID 135638908) has the molecular formula C26H18O8 and a molecular weight of 458.42 g/mol. Its IUPAC name is 2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid.

Molecular Properties

Compound Name2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid
PubChem CID135638908
Molecular FormulaC26H18O8
Molecular Weight458.42 g/mol
Exact Mass458.10
IUPAC Name2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid
SMILESCOc1ccc(-c2oc3cc(O)c4c(=O)c(-c5ccc(O)cc5)coc4c3c2CC(=O)O)cc1
InChIInChI=1S/C26H18O8/c1-32-16-8-4-14(5-9-16)25-17(10-21(29)30)22-20(34-25)11-19(28)23-24(31)18(12-33-26(22)23)13-2-6-15(27)7-3-13/h2-9,11-12,27-28H,10H2,1H3,(H,29,30)
InChIKeyIGSQUFMEIMCWSW-UHFFFAOYSA-N
XLogP4.92
TPSA130.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.42
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid with MolForge

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Related Compounds

2-[8-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid
CID 171038263
5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 6708795
5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one
CID 135200514
3,9-bis(3,4-dimethoxyphenyl)-5-hydroxypyrano[2,3-h]chromene-4,10-dione
CID 127051628
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate
CID 71664178
2-[2-benzylidene-7-(4-methoxyphenyl)-3-oxofuro[2,3-e][1]benzofuran-8-yl]acetic acid
CID 163094340
5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one
CID 163355407
8-(aminomethyl)-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
CID 142974313
2-[3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]acetamide
CID 126595540
5-hydroxy-7-methoxy-3-(4-methoxyphenyl)-8-[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
CID 163030491
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-(2-bromoethyl)carbamate
CID 70687672
2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide
CID 171340353

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid?
The IUPAC name of 2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid (CID 135638908) is 2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid.
What is the SMILES notation for 2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid?
The canonical SMILES for 2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid is COc1ccc(-c2oc3cc(O)c4c(=O)c(-c5ccc(O)cc5)coc4c3c2CC(=O)O)cc1.
What is the InChIKey of 2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid?
The InChIKey is IGSQUFMEIMCWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O8/c1-32-16-8-4-14(5-9-16)25-17(10-21(29)30)22-20(34-25)11-19(28)23-24(31)18(12-33-26(22)23)13-2-6-15(27)7-3-13/h2-9,11-12,27-28H,10H2,1H3,(H,29,30).
What are the key properties of 2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid?
2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid has a molecular weight of 458.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid is sourced from PubChem (CID 135638908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).