(10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one

C15H16O — CID 71388427

IUPAC(10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one
SMILESC[C@]12CCC(=O)C=C1c1ccccc1CC2
InChIInChI=1S/C15H16O/c1-15-8-6-11-4-2-3-5-13(11)14(15)10-12(16)7-9-15/h2-5,10H,6-9H2,1H3/t15-/m0/s1
InChIKeyGONYVNMFEDYGMU-HNNXBMFYSA-N
MW212.29 g/mol
LogP3.39
Rot. Bonds

About (10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one

(10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one (PubChem CID 71388427) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one.

Molecular Properties

Compound Name(10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one
PubChem CID71388427
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one
SMILESC[C@]12CCC(=O)C=C1c1ccccc1CC2
InChIInChI=1S/C15H16O/c1-15-8-6-11-4-2-3-5-13(11)14(15)10-12(16)7-9-15/h2-5,10H,6-9H2,1H3/t15-/m0/s1
InChIKeyGONYVNMFEDYGMU-HNNXBMFYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one?
The IUPAC name of (10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one (CID 71388427) is (10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one.
What is the SMILES notation for (10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one?
The canonical SMILES for (10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one is C[C@]12CCC(=O)C=C1c1ccccc1CC2.
What is the InChIKey of (10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one?
The InChIKey is GONYVNMFEDYGMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16O/c1-15-8-6-11-4-2-3-5-13(11)14(15)10-12(16)7-9-15/h2-5,10H,6-9H2,1H3/t15-/m0/s1.
What are the key properties of (10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one?
(10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one has a molecular weight of 212.29 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one is sourced from PubChem (CID 71388427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).