8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one

C16H20O2 — CID 15157188

IUPAC8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
SMILESCc1cc(C)c2c(c1O)C(=O)C1(C)CCCCC21
InChIInChI=1S/C16H20O2/c1-9-8-10(2)14(17)13-12(9)11-6-4-5-7-16(11,3)15(13)18/h8,11,17H,4-7H2,1-3H3
InChIKeyDSNGCNNMVUWMCE-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.87
Rot. Bonds

About 8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one

8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one (PubChem CID 15157188) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one.

Molecular Properties

Compound Name8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
PubChem CID15157188
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one
SMILESCc1cc(C)c2c(c1O)C(=O)C1(C)CCCCC21
InChIInChI=1S/C16H20O2/c1-9-8-10(2)14(17)13-12(9)11-6-4-5-7-16(11,3)15(13)18/h8,11,17H,4-7H2,1-3H3
InChIKeyDSNGCNNMVUWMCE-UHFFFAOYSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one?
The IUPAC name of 8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one (CID 15157188) is 8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one.
What is the SMILES notation for 8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one?
The canonical SMILES for 8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one is Cc1cc(C)c2c(c1O)C(=O)C1(C)CCCCC21.
What is the InChIKey of 8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one?
The InChIKey is DSNGCNNMVUWMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-9-8-10(2)14(17)13-12(9)11-6-4-5-7-16(11,3)15(13)18/h8,11,17H,4-7H2,1-3H3.
What are the key properties of 8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one?
8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one has a molecular weight of 244.33 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5,7,9a-trimethyl-2,3,4,4a-tetrahydro-1H-fluoren-9-one is sourced from PubChem (CID 15157188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).