1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione

C15H14O3 — CID 163939867

IUPAC1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione
SMILESCC1=CC2C(=O)C3C=CC=CC3C(=O)C2C(O)=C1
InChIInChI=1S/C15H14O3/c1-8-6-11-13(12(16)7-8)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,9-11,13,16H,1H3
InChIKeyRQBWTAWTPPZREY-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.13
Rot. Bonds

About 1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione

1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione (PubChem CID 163939867) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione
PubChem CID163939867
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione
SMILESCC1=CC2C(=O)C3C=CC=CC3C(=O)C2C(O)=C1
InChIInChI=1S/C15H14O3/c1-8-6-11-13(12(16)7-8)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,9-11,13,16H,1H3
InChIKeyRQBWTAWTPPZREY-UHFFFAOYSA-N
XLogP2.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione?
The IUPAC name of 1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione (CID 163939867) is 1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione is CC1=CC2C(=O)C3C=CC=CC3C(=O)C2C(O)=C1.
What is the InChIKey of 1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione?
The InChIKey is RQBWTAWTPPZREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-8-6-11-13(12(16)7-8)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,9-11,13,16H,1H3.
What are the key properties of 1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione?
1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione has a molecular weight of 242.27 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-4a,8a,9a,10a-tetrahydroanthracene-9,10-dione is sourced from PubChem (CID 163939867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).