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

C20H18O2 — CID 174841737

IUPAC1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione
SMILESCC1Cc2c(ccc3c2CC(=O)c2ccccc2-3)C(C)C1=O
InChIInChI=1S/C20H18O2/c1-11-9-17-13(12(2)20(11)22)7-8-15-14-5-3-4-6-16(14)19(21)10-18(15)17/h3-8,11-12H,9-10H2,1-2H3
InChIKeyRWNKMLUJHOKWPP-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.96
Rot. Bonds

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

1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione (PubChem CID 174841737) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione
PubChem CID174841737
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione
SMILESCC1Cc2c(ccc3c2CC(=O)c2ccccc2-3)C(C)C1=O
InChIInChI=1S/C20H18O2/c1-11-9-17-13(12(2)20(11)22)7-8-15-14-5-3-4-6-16(14)19(21)10-18(15)17/h3-8,11-12H,9-10H2,1-2H3
InChIKeyRWNKMLUJHOKWPP-UHFFFAOYSA-N
XLogP3.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione?
The IUPAC name of 1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione (CID 174841737) is 1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione?
The canonical SMILES for 1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione is CC1Cc2c(ccc3c2CC(=O)c2ccccc2-3)C(C)C1=O.
What is the InChIKey of 1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione?
The InChIKey is RWNKMLUJHOKWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-11-9-17-13(12(2)20(11)22)7-8-15-14-5-3-4-6-16(14)19(21)10-18(15)17/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione?
1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione has a molecular weight of 290.36 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3,4,5-tetrahydrochrysene-2,6-dione is sourced from PubChem (CID 174841737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).