5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione

C24H28O4 — CID 24878732

IUPAC5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione
SMILESCCCC1=C(O)c2c(oc(-c3ccccc3)cc2=O)C(CCC)(CCC)C1=O
InChIInChI=1S/C24H28O4/c1-4-10-17-21(26)20-18(25)15-19(16-11-8-7-9-12-16)28-23(20)24(13-5-2,14-6-3)22(17)27/h7-9,11-12,15,26H,4-6,10,13-14H2,1-3H3
InChIKeyRQLCBGXYBQYVPQ-UHFFFAOYSA-N
MW380.48 g/mol
LogP5.80
Rot. Bonds7

About 5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione

5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione (PubChem CID 24878732) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is 5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione.

Molecular Properties

Compound Name5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione
PubChem CID24878732
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione
SMILESCCCC1=C(O)c2c(oc(-c3ccccc3)cc2=O)C(CCC)(CCC)C1=O
InChIInChI=1S/C24H28O4/c1-4-10-17-21(26)20-18(25)15-19(16-11-8-7-9-12-16)28-23(20)24(13-5-2,14-6-3)22(17)27/h7-9,11-12,15,26H,4-6,10,13-14H2,1-3H3
InChIKeyRQLCBGXYBQYVPQ-UHFFFAOYSA-N
XLogP5.80
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione?
The IUPAC name of 5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione (CID 24878732) is 5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione.
What is the SMILES notation for 5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione?
The canonical SMILES for 5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione is CCCC1=C(O)c2c(oc(-c3ccccc3)cc2=O)C(CCC)(CCC)C1=O.
What is the InChIKey of 5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione?
The InChIKey is RQLCBGXYBQYVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4/c1-4-10-17-21(26)20-18(25)15-19(16-11-8-7-9-12-16)28-23(20)24(13-5-2,14-6-3)22(17)27/h7-9,11-12,15,26H,4-6,10,13-14H2,1-3H3.
What are the key properties of 5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione?
5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione has a molecular weight of 380.48 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenyl-6,8,8-tripropylchromene-4,7-dione is sourced from PubChem (CID 24878732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).