6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione

C21H22O4 — CID 24878785

IUPAC6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3ccccc3)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C21H22O4/c1-4-14-18(23)17-15(22)12-16(13-10-8-7-9-11-13)25-20(17)21(5-2,6-3)19(14)24/h7-12,23H,4-6H2,1-3H3
InChIKeyVDFATNBUBGQQPQ-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.63
Rot. Bonds4

About 6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione

6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione (PubChem CID 24878785) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is 6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione.

Molecular Properties

Compound Name6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione
PubChem CID24878785
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3ccccc3)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C21H22O4/c1-4-14-18(23)17-15(22)12-16(13-10-8-7-9-11-13)25-20(17)21(5-2,6-3)19(14)24/h7-12,23H,4-6H2,1-3H3
InChIKeyVDFATNBUBGQQPQ-UHFFFAOYSA-N
XLogP4.63
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dracorhodin
CID 69509
Tunicatachalcone
CID 5324259
Dasytrichone
CID 442586
5-Methoxy-2-phenyl-7H-1-benzopyran-7-one
CID 610735
2,3-Dihydro-5-hydroxy-6,8,8-trimethyl-2-phenyl-4h-1-benzopyran-4,7(8h)-dione
CID 44399548
6,8,8-Triethyl-4-ethyl desmosdumotin B
CID 24878730
2-(Naphthalen-1-YL)-6,8,8-triethyl desmosdumotin B
CID 24878731
2-(Naphthalen-1-yl)desmosdumotin B
CID 24878784
6,8,8-Triethyl-4-methyl desmosdumotin B
CID 24878786
2-(3,5-Dimethylphenyl)-6,8,8-triethyl-5-hydroxychromene-4,7-dione
CID 46937438
2-(3,4-Dimethylphenyl)-6,8,8-triethyl-5-hydroxychromene-4,7-dione
CID 46938414
2-(2,3-Dimethylphenyl)-6,8,8-triethyl-5-hydroxychromene-4,7-dione
CID 46938632

Frequently Asked Questions

What is the IUPAC name of 6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione?
The IUPAC name of 6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione (CID 24878785) is 6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione.
What is the SMILES notation for 6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione?
The canonical SMILES for 6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione is CCC1=C(O)c2c(oc(-c3ccccc3)cc2=O)C(CC)(CC)C1=O.
What is the InChIKey of 6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione?
The InChIKey is VDFATNBUBGQQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-4-14-18(23)17-15(22)12-16(13-10-8-7-9-11-13)25-20(17)21(5-2,6-3)19(14)24/h7-12,23H,4-6H2,1-3H3.
What are the key properties of 6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione?
6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione has a molecular weight of 338.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-triethyl-5-hydroxy-2-phenylchromene-4,7-dione is sourced from PubChem (CID 24878785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).