1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione

C19H16O2 — CID 174841731

IUPAC1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione
SMILESCC1C(=O)CCc2c1ccc1c2CC(=O)c2ccccc2-1
InChIInChI=1S/C19H16O2/c1-11-12-6-7-15-13-4-2-3-5-16(13)19(21)10-17(15)14(12)8-9-18(11)20/h2-7,11H,8-10H2,1H3
InChIKeyAODIZIRIYSPQKP-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.71
Rot. Bonds

About 1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione

1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione (PubChem CID 174841731) has the molecular formula C19H16O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione.

Molecular Properties

Compound Name1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione
PubChem CID174841731
Molecular FormulaC19H16O2
Molecular Weight276.33 g/mol
Exact Mass276.12
IUPAC Name1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione
SMILESCC1C(=O)CCc2c1ccc1c2CC(=O)c2ccccc2-1
InChIInChI=1S/C19H16O2/c1-11-12-6-7-15-13-4-2-3-5-16(13)19(21)10-17(15)14(12)8-9-18(11)20/h2-7,11H,8-10H2,1H3
InChIKeyAODIZIRIYSPQKP-UHFFFAOYSA-N
XLogP3.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione?
The IUPAC name of 1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione (CID 174841731) is 1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione.
What is the SMILES notation for 1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione?
The canonical SMILES for 1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione is CC1C(=O)CCc2c1ccc1c2CC(=O)c2ccccc2-1.
What is the InChIKey of 1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione?
The InChIKey is AODIZIRIYSPQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-11-12-6-7-15-13-4-2-3-5-16(13)19(21)10-17(15)14(12)8-9-18(11)20/h2-7,11H,8-10H2,1H3.
What are the key properties of 1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione?
1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione has a molecular weight of 276.33 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3,4,5-tetrahydrochrysene-2,6-dione is sourced from PubChem (CID 174841731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).