7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one

C38H54O5 — CID 95397172

IUPAC7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one
SMILESCc1c(C)c2c(c(C)c1Oc1coc3cc(O)ccc3c1=O)CC[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2
InChIInChI=1S/C38H54O5/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-38(8)21-19-31-29(7)36(27(5)28(6)37(31)43-38)42-34-23-41-33-22-30(39)17-18-32(33)35(34)40/h17-18,22-26,39H,9-16,19-21H2,1-8H3/t25-,26+,38+/m0/s1
InChIKeyBNDJSXGDRHCEBG-ZYURWWFDSA-N
MW590.85 g/mol
LogP10.74
Rot. Bonds14

About 7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one

7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one (PubChem CID 95397172) has the molecular formula C38H54O5 and a molecular weight of 590.85 g/mol. Its IUPAC name is 7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one
PubChem CID95397172
Molecular FormulaC38H54O5
Molecular Weight590.85 g/mol
Exact Mass590.40
IUPAC Name7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one
SMILESCc1c(C)c2c(c(C)c1Oc1coc3cc(O)ccc3c1=O)CC[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2
InChIInChI=1S/C38H54O5/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-38(8)21-19-31-29(7)36(27(5)28(6)37(31)43-38)42-34-23-41-33-22-30(39)17-18-32(33)35(34)40/h17-18,22-26,39H,9-16,19-21H2,1-8H3/t25-,26+,38+/m0/s1
InChIKeyBNDJSXGDRHCEBG-ZYURWWFDSA-N
XLogP10.74
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.85
LogP ≤ 510.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one?
The IUPAC name of 7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one (CID 95397172) is 7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one?
The canonical SMILES for 7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one is Cc1c(C)c2c(c(C)c1Oc1coc3cc(O)ccc3c1=O)CC[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2.
What is the InChIKey of 7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one?
The InChIKey is BNDJSXGDRHCEBG-ZYURWWFDSA-N. The full InChI is InChI=1S/C38H54O5/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-38(8)21-19-31-29(7)36(27(5)28(6)37(31)43-38)42-34-23-41-33-22-30(39)17-18-32(33)35(34)40/h17-18,22-26,39H,9-16,19-21H2,1-8H3/t25-,26+,38+/m0/s1.
What are the key properties of 7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one?
7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one has a molecular weight of 590.85 g/mol, XLogP of 10.74, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8S)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]chromen-4-one is sourced from PubChem (CID 95397172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).