9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one

C21H22O3 — CID 10268080

IUPAC9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
SMILESCCCCC12CCC(=O)C(c3ccco3)=C1c1ccc(O)cc1C2
InChIInChI=1S/C21H22O3/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3
InChIKeyZUMQFABIHNHCCM-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.99
Rot. Bonds4

About 9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one

9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one (PubChem CID 10268080) has the molecular formula C21H22O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is 9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one.

Molecular Properties

Compound Name9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
PubChem CID10268080
Molecular FormulaC21H22O3
Molecular Weight322.40 g/mol
Exact Mass322.16
IUPAC Name9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
SMILESCCCCC12CCC(=O)C(c3ccco3)=C1c1ccc(O)cc1C2
InChIInChI=1S/C21H22O3/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3
InChIKeyZUMQFABIHNHCCM-UHFFFAOYSA-N
XLogP4.99
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one 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 9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one?
The IUPAC name of 9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one (CID 10268080) is 9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one.
What is the SMILES notation for 9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one?
The canonical SMILES for 9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one is CCCCC12CCC(=O)C(c3ccco3)=C1c1ccc(O)cc1C2.
What is the InChIKey of 9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one?
The InChIKey is ZUMQFABIHNHCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3/c1-2-3-9-21-10-8-17(23)19(18-5-4-11-24-18)20(21)16-7-6-15(22)12-14(16)13-21/h4-7,11-12,22H,2-3,8-10,13H2,1H3.
What are the key properties of 9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one?
9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one has a molecular weight of 322.40 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-butyl-4-(furan-2-yl)-7-hydroxy-2,9-dihydro-1H-fluoren-3-one is sourced from PubChem (CID 10268080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).