4,4a-dihydro-1H-fluoren-4-ylmethanol

C14H14O — CID 174985720

IUPAC4,4a-dihydro-1H-fluoren-4-ylmethanol
SMILESOCC1C=CCC2=Cc3ccccc3C21
InChIInChI=1S/C14H14O/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)14(11)12/h1-4,6-8,12,14-15H,5,9H2
InChIKeyRTQXJVTULGTFDB-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.74
Rot. Bonds1

About 4,4a-dihydro-1H-fluoren-4-ylmethanol

4,4a-dihydro-1H-fluoren-4-ylmethanol (PubChem CID 174985720) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 4,4a-dihydro-1H-fluoren-4-ylmethanol.

Molecular Properties

Compound Name4,4a-dihydro-1H-fluoren-4-ylmethanol
PubChem CID174985720
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name4,4a-dihydro-1H-fluoren-4-ylmethanol
SMILESOCC1C=CCC2=Cc3ccccc3C21
InChIInChI=1S/C14H14O/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)14(11)12/h1-4,6-8,12,14-15H,5,9H2
InChIKeyRTQXJVTULGTFDB-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4a-dihydro-1H-fluoren-4-ylmethanol 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 4,4a-dihydro-1H-fluoren-4-ylmethanol?
The IUPAC name of 4,4a-dihydro-1H-fluoren-4-ylmethanol (CID 174985720) is 4,4a-dihydro-1H-fluoren-4-ylmethanol.
What is the SMILES notation for 4,4a-dihydro-1H-fluoren-4-ylmethanol?
The canonical SMILES for 4,4a-dihydro-1H-fluoren-4-ylmethanol is OCC1C=CCC2=Cc3ccccc3C21.
What is the InChIKey of 4,4a-dihydro-1H-fluoren-4-ylmethanol?
The InChIKey is RTQXJVTULGTFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)14(11)12/h1-4,6-8,12,14-15H,5,9H2.
What are the key properties of 4,4a-dihydro-1H-fluoren-4-ylmethanol?
4,4a-dihydro-1H-fluoren-4-ylmethanol has a molecular weight of 198.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dihydro-1H-fluoren-4-ylmethanol is sourced from PubChem (CID 174985720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).