(4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one

C14H16O — CID 134453128

IUPAC(4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one
SMILESC[C@]12CC=CC[C@H]1C(=O)C1=C2CC=CC1
InChIInChI=1S/C14H16O/c1-14-9-5-4-8-12(14)13(15)10-6-2-3-7-11(10)14/h2-5,12H,6-9H2,1H3/t12-,14+/m0/s1
InChIKeyOBTOQRFHGGWDDU-GXTWGEPZSA-N
MW200.28 g/mol
LogP3.19
Rot. Bonds

About (4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one

(4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one (PubChem CID 134453128) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one.

Molecular Properties

Compound Name(4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one
PubChem CID134453128
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one
SMILESC[C@]12CC=CC[C@H]1C(=O)C1=C2CC=CC1
InChIInChI=1S/C14H16O/c1-14-9-5-4-8-12(14)13(15)10-6-2-3-7-11(10)14/h2-5,12H,6-9H2,1H3/t12-,14+/m0/s1
InChIKeyOBTOQRFHGGWDDU-GXTWGEPZSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one?
The IUPAC name of (4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one (CID 134453128) is (4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one.
What is the SMILES notation for (4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one?
The canonical SMILES for (4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one is C[C@]12CC=CC[C@H]1C(=O)C1=C2CC=CC1.
What is the InChIKey of (4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one?
The InChIKey is OBTOQRFHGGWDDU-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H16O/c1-14-9-5-4-8-12(14)13(15)10-6-2-3-7-11(10)14/h2-5,12H,6-9H2,1H3/t12-,14+/m0/s1.
What are the key properties of (4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one?
(4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one has a molecular weight of 200.28 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,8aR)-4b-methyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one is sourced from PubChem (CID 134453128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).