4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one

C15H16O — CID 607587

IUPAC4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one
SMILESCC12CCC(=O)C=C1CCc1ccccc12
InChIInChI=1S/C15H16O/c1-15-9-8-13(16)10-12(15)7-6-11-4-2-3-5-14(11)15/h2-5,10H,6-9H2,1H3
InChIKeyFSPGJSRKHCJARC-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.18
Rot. Bonds

About 4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one

4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one (PubChem CID 607587) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one.

Molecular Properties

Compound Name4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one
PubChem CID607587
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one
SMILESCC12CCC(=O)C=C1CCc1ccccc12
InChIInChI=1S/C15H16O/c1-15-9-8-13(16)10-12(15)7-6-11-4-2-3-5-14(11)15/h2-5,10H,6-9H2,1H3
InChIKeyFSPGJSRKHCJARC-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one?
The IUPAC name of 4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one (CID 607587) is 4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one.
What is the SMILES notation for 4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one?
The canonical SMILES for 4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one is CC12CCC(=O)C=C1CCc1ccccc12.
What is the InChIKey of 4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one?
The InChIKey is FSPGJSRKHCJARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-15-9-8-13(16)10-12(15)7-6-11-4-2-3-5-14(11)15/h2-5,10H,6-9H2,1H3.
What are the key properties of 4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one?
4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one has a molecular weight of 212.29 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-3,4,9,10-tetrahydrophenanthren-2-one is sourced from PubChem (CID 607587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).