5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione

C22H18O4 — CID 24878784

IUPAC5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione
SMILESCC1=C(O)c2c(oc(-c3cccc4ccccc34)cc2=O)C(C)(C)C1=O
InChIInChI=1S/C22H18O4/c1-12-19(24)18-16(23)11-17(26-21(18)22(2,3)20(12)25)15-10-6-8-13-7-4-5-9-14(13)15/h4-11,24H,1-3H3
InChIKeyJVUIYCWTZMLAIP-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.61
Rot. Bonds1

About 5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione

5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione (PubChem CID 24878784) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione.

Molecular Properties

Compound Name5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione
PubChem CID24878784
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione
SMILESCC1=C(O)c2c(oc(-c3cccc4ccccc34)cc2=O)C(C)(C)C1=O
InChIInChI=1S/C22H18O4/c1-12-19(24)18-16(23)11-17(26-21(18)22(2,3)20(12)25)15-10-6-8-13-7-4-5-9-14(13)15/h4-11,24H,1-3H3
InChIKeyJVUIYCWTZMLAIP-UHFFFAOYSA-N
XLogP4.61
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione?
The IUPAC name of 5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione (CID 24878784) is 5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione.
What is the SMILES notation for 5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione?
The canonical SMILES for 5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione is CC1=C(O)c2c(oc(-c3cccc4ccccc34)cc2=O)C(C)(C)C1=O.
What is the InChIKey of 5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione?
The InChIKey is JVUIYCWTZMLAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-12-19(24)18-16(23)11-17(26-21(18)22(2,3)20(12)25)15-10-6-8-13-7-4-5-9-14(13)15/h4-11,24H,1-3H3.
What are the key properties of 5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione?
5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione has a molecular weight of 346.38 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,8,8-trimethyl-2-naphthalen-1-ylchromene-4,7-dione is sourced from PubChem (CID 24878784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).