(4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one

C14H16O2 — CID 134945866

IUPAC(4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one
SMILESC[C@@]12C(=O)CCC[C@]1(O)Cc1ccccc12
InChIInChI=1S/C14H16O2/c1-13-11-6-3-2-5-10(11)9-14(13,16)8-4-7-12(13)15/h2-3,5-6,16H,4,7-9H2,1H3/t13-,14+/m1/s1
InChIKeyNEFJAEGBJVFPHS-KGLIPLIRSA-N
MW216.28 g/mol
LogP1.98
Rot. Bonds

About (4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one

(4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one (PubChem CID 134945866) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one.

Molecular Properties

Compound Name(4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one
PubChem CID134945866
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one
SMILESC[C@@]12C(=O)CCC[C@]1(O)Cc1ccccc12
InChIInChI=1S/C14H16O2/c1-13-11-6-3-2-5-10(11)9-14(13,16)8-4-7-12(13)15/h2-3,5-6,16H,4,7-9H2,1H3/t13-,14+/m1/s1
InChIKeyNEFJAEGBJVFPHS-KGLIPLIRSA-N
XLogP1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-1'-hydroxy-
CID 380764
9-Methyl-9H-fluorene-9-carboxylic acid
CID 3587802
9-Hydroxy-9-pivaloylfluorene
CID 132698
2-(9-Hydroxyfluoren-9-yl)-2-methylpropanoic acid
CID 12570469
(4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one
CID 164852830
Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-3'-hydroxy-1',1'-dimethyl-
CID 380763
(1S)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one
CID 164853692
(1R)-3-hydroxy-3-(trifluoromethyl)spiro[2H-indene-1,3'-cyclohexane]-1'-one
CID 164853744
2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-hydroxy-1H-indene-1,3(2H)-dione
CID 740422
(1S,3aS,7aS)-1-benzoyl-7a-hydroxy-3a-methyl-1,2,3,5,6,7-hexahydroinden-4-one
CID 11288756
1-[(1S,2R,4S,5R)-2-hydroxy-2-methyl-4,5-diphenylcyclopentyl]ethanone
CID 14929091
(1R,3aR,4S,7aR)-4-benzyl-1-hydroxy-4,7a-dimethyl-1,2,3,3a,6,7-hexahydroinden-5-one
CID 71696963

Frequently Asked Questions

What is the IUPAC name of (4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one?
The IUPAC name of (4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one (CID 134945866) is (4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one.
What is the SMILES notation for (4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one?
The canonical SMILES for (4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one is C[C@@]12C(=O)CCC[C@]1(O)Cc1ccccc12.
What is the InChIKey of (4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one?
The InChIKey is NEFJAEGBJVFPHS-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H16O2/c1-13-11-6-3-2-5-10(11)9-14(13,16)8-4-7-12(13)15/h2-3,5-6,16H,4,7-9H2,1H3/t13-,14+/m1/s1.
What are the key properties of (4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one?
(4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one has a molecular weight of 216.28 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aS)-9a-hydroxy-4a-methyl-1,2,3,9-tetrahydrofluoren-4-one is sourced from PubChem (CID 134945866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).