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

C14H16O2 — CID 164852830

IUPAC(4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one
SMILESC[C@@]12Cc3ccccc3[C@]1(O)CCCC2=O
InChIInChI=1S/C14H16O2/c1-13-9-10-5-2-3-6-11(10)14(13,16)8-4-7-12(13)15/h2-3,5-6,16H,4,7-9H2,1H3/t13-,14+/m0/s1
InChIKeyPLZKBJZFVQFSNO-UONOGXRCSA-N
MW216.28 g/mol
LogP2.19
Rot. Bonds

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

(4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one (PubChem CID 164852830) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one.

Molecular Properties

Compound Name(4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one
PubChem CID164852830
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one
SMILESC[C@@]12Cc3ccccc3[C@]1(O)CCCC2=O
InChIInChI=1S/C14H16O2/c1-13-9-10-5-2-3-6-11(10)14(13,16)8-4-7-12(13)15/h2-3,5-6,16H,4,7-9H2,1H3/t13-,14+/m0/s1
InChIKeyPLZKBJZFVQFSNO-UONOGXRCSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one?
The IUPAC name of (4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one (CID 164852830) is (4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one.
What is the SMILES notation for (4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one?
The canonical SMILES for (4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one is C[C@@]12Cc3ccccc3[C@]1(O)CCCC2=O.
What is the InChIKey of (4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one?
The InChIKey is PLZKBJZFVQFSNO-UONOGXRCSA-N. The full InChI is InChI=1S/C14H16O2/c1-13-9-10-5-2-3-6-11(10)14(13,16)8-4-7-12(13)15/h2-3,5-6,16H,4,7-9H2,1H3/t13-,14+/m0/s1.
What are the key properties of (4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one?
(4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aR)-4a-hydroxy-9a-methyl-2,3,4,9-tetrahydrofluoren-1-one is sourced from PubChem (CID 164852830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).