(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione

C18H18O4 — CID 503273

IUPAC(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione
SMILESCC1=C(O)C2=C(O[C@H](c3ccccc3)CC2=O)C(C)(C)C1=O
InChIInChI=1S/C18H18O4/c1-10-15(20)14-12(19)9-13(11-7-5-4-6-8-11)22-17(14)18(2,3)16(10)21/h4-8,13,20H,9H2,1-3H3/t13-/m0/s1
InChIKeyCLTODYVARKMPCT-ZDUSSCGKSA-N
MW298.34 g/mol
LogP3.41
Rot. Bonds1

About (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione

(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione (PubChem CID 503273) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione.

Molecular Properties

Compound Name(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione
PubChem CID503273
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione
SMILESCC1=C(O)C2=C(O[C@H](c3ccccc3)CC2=O)C(C)(C)C1=O
InChIInChI=1S/C18H18O4/c1-10-15(20)14-12(19)9-13(11-7-5-4-6-8-11)22-17(14)18(2,3)16(10)21/h4-8,13,20H,9H2,1-3H3/t13-/m0/s1
InChIKeyCLTODYVARKMPCT-ZDUSSCGKSA-N
XLogP3.41
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione?
The IUPAC name of (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione (CID 503273) is (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione.
What is the SMILES notation for (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione?
The canonical SMILES for (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione is CC1=C(O)C2=C(O[C@H](c3ccccc3)CC2=O)C(C)(C)C1=O.
What is the InChIKey of (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione?
The InChIKey is CLTODYVARKMPCT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18O4/c1-10-15(20)14-12(19)9-13(11-7-5-4-6-8-11)22-17(14)18(2,3)16(10)21/h4-8,13,20H,9H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione?
(2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione has a molecular weight of 298.34 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-hydroxy-6,8,8-trimethyl-2-phenyl-2,3-dihydrochromene-4,7-dione is sourced from PubChem (CID 503273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).