(4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione

C19H24O3 — CID 5316656

IUPAC(4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione
SMILESCC(C)C1=C(O)C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)C1=C2
InChIInChI=1S/C19H24O3/c1-10(2)13-15(20)11-9-12-18(3,4)7-6-8-19(12,5)14(11)17(22)16(13)21/h9-10,20H,6-8H2,1-5H3/t19-/m0/s1
InChIKeyWMWMKDIHCOZLTG-IBGZPJMESA-N
MW300.40 g/mol
LogP4.06
Rot. Bonds1

About (4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione

(4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione (PubChem CID 5316656) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is (4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione.

Molecular Properties

Compound Name(4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione
PubChem CID5316656
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name(4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione
SMILESCC(C)C1=C(O)C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)C1=C2
InChIInChI=1S/C19H24O3/c1-10(2)13-15(20)11-9-12-18(3,4)7-6-8-19(12,5)14(11)17(22)16(13)21/h9-10,20H,6-8H2,1-5H3/t19-/m0/s1
InChIKeyWMWMKDIHCOZLTG-IBGZPJMESA-N
XLogP4.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione?
The IUPAC name of (4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione (CID 5316656) is (4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione.
What is the SMILES notation for (4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione?
The canonical SMILES for (4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione is CC(C)C1=C(O)C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)C1=C2.
What is the InChIKey of (4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione?
The InChIKey is WMWMKDIHCOZLTG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24O3/c1-10(2)13-15(20)11-9-12-18(3,4)7-6-8-19(12,5)14(11)17(22)16(13)21/h9-10,20H,6-8H2,1-5H3/t19-/m0/s1.
What are the key properties of (4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione?
(4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione has a molecular weight of 300.40 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS)-1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-3,4-dione is sourced from PubChem (CID 5316656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).