6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione

C19H18O4 — CID 24878729

IUPAC6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3ccccc3)cc2=O)C(C)(C)C1=O
InChIInChI=1S/C19H18O4/c1-4-12-16(21)15-13(20)10-14(11-8-6-5-7-9-11)23-18(15)19(2,3)17(12)22/h5-10,21H,4H2,1-3H3
InChIKeyIWDCJDFXFMAUEY-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.85
Rot. Bonds2

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

6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione (PubChem CID 24878729) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione.

Molecular Properties

Compound Name6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione
PubChem CID24878729
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3ccccc3)cc2=O)C(C)(C)C1=O
InChIInChI=1S/C19H18O4/c1-4-12-16(21)15-13(20)10-14(11-8-6-5-7-9-11)23-18(15)19(2,3)17(12)22/h5-10,21H,4H2,1-3H3
InChIKeyIWDCJDFXFMAUEY-UHFFFAOYSA-N
XLogP3.85
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione?
The IUPAC name of 6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione (CID 24878729) is 6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione.
What is the SMILES notation for 6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione?
The canonical SMILES for 6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione is CCC1=C(O)c2c(oc(-c3ccccc3)cc2=O)C(C)(C)C1=O.
What is the InChIKey of 6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione?
The InChIKey is IWDCJDFXFMAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-4-12-16(21)15-13(20)10-14(11-8-6-5-7-9-11)23-18(15)19(2,3)17(12)22/h5-10,21H,4H2,1-3H3.
What are the key properties of 6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione?
6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione has a molecular weight of 310.35 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-hydroxy-8,8-dimethyl-2-phenylchromene-4,7-dione is sourced from PubChem (CID 24878729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).