2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one

C34H30O9 — CID 175575220

IUPAC2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one
SMILESCCc1ccccc1-c1cc(=O)c2c(o1)[C@@H](O)[C@H](O)[C@H](O)[C@H]2Oc1cc2c(=O)cc(-c3ccccc3CC)oc2cc1O
InChIInChI=1S/C34H30O9/c1-3-17-9-5-7-11-19(17)25-14-22(35)21-13-28(23(36)15-27(21)41-25)43-34-29-24(37)16-26(20-12-8-6-10-18(20)4-2)42-33(29)31(39)30(38)32(34)40/h5-16,30-32,34,36,38-40H,3-4H2,1-2H3/t30-,31-,32-,34-/m0/s1
InChIKeyXHSHBSFLXQYXSF-SUGCFTRWSA-N
MW582.61 g/mol
LogP4.80
Rot. Bonds6

About 2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one

2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one (PubChem CID 175575220) has the molecular formula C34H30O9 and a molecular weight of 582.61 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one.

Molecular Properties

Compound Name2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one
PubChem CID175575220
Molecular FormulaC34H30O9
Molecular Weight582.61 g/mol
Exact Mass582.19
IUPAC Name2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one
SMILESCCc1ccccc1-c1cc(=O)c2c(o1)[C@@H](O)[C@H](O)[C@H](O)[C@H]2Oc1cc2c(=O)cc(-c3ccccc3CC)oc2cc1O
InChIInChI=1S/C34H30O9/c1-3-17-9-5-7-11-19(17)25-14-22(35)21-13-28(23(36)15-27(21)41-25)43-34-29-24(37)16-26(20-12-8-6-10-18(20)4-2)42-33(29)31(39)30(38)32(34)40/h5-16,30-32,34,36,38-40H,3-4H2,1-2H3/t30-,31-,32-,34-/m0/s1
InChIKeyXHSHBSFLXQYXSF-SUGCFTRWSA-N
XLogP4.80
TPSA150.57 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.61
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one?
The IUPAC name of 2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one (CID 175575220) is 2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one.
What is the SMILES notation for 2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one?
The canonical SMILES for 2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one is CCc1ccccc1-c1cc(=O)c2c(o1)[C@@H](O)[C@H](O)[C@H](O)[C@H]2Oc1cc2c(=O)cc(-c3ccccc3CC)oc2cc1O.
What is the InChIKey of 2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one?
The InChIKey is XHSHBSFLXQYXSF-SUGCFTRWSA-N. The full InChI is InChI=1S/C34H30O9/c1-3-17-9-5-7-11-19(17)25-14-22(35)21-13-28(23(36)15-27(21)41-25)43-34-29-24(37)16-26(20-12-8-6-10-18(20)4-2)42-33(29)31(39)30(38)32(34)40/h5-16,30-32,34,36,38-40H,3-4H2,1-2H3/t30-,31-,32-,34-/m0/s1.
What are the key properties of 2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one?
2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one has a molecular weight of 582.61 g/mol, XLogP of 4.80, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-6-[[(5S,6S,7R,8S)-2-(2-ethylphenyl)-6,7,8-trihydroxy-4-oxo-5,6,7,8-tetrahydrochromen-5-yl]oxy]-7-hydroxychromen-4-one is sourced from PubChem (CID 175575220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).