2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol

C14H18O — CID 163639430

IUPAC2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol
SMILESOCC1C2=C(C=CCC2)C2C=CCCC21
InChIInChI=1S/C14H18O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-2,5-6,10,12,14-15H,3-4,7-9H2
InChIKeyICYCYHFURATFOC-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.84
Rot. Bonds1

About 2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol

2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol (PubChem CID 163639430) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol.

Molecular Properties

Compound Name2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol
PubChem CID163639430
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol
SMILESOCC1C2=C(C=CCC2)C2C=CCCC21
InChIInChI=1S/C14H18O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-2,5-6,10,12,14-15H,3-4,7-9H2
InChIKeyICYCYHFURATFOC-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol?
The IUPAC name of 2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol (CID 163639430) is 2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol.
What is the SMILES notation for 2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol?
The canonical SMILES for 2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol is OCC1C2=C(C=CCC2)C2C=CCCC21.
What is the InChIKey of 2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol?
The InChIKey is ICYCYHFURATFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-2,5-6,10,12,14-15H,3-4,7-9H2.
What are the key properties of 2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol?
2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol has a molecular weight of 202.30 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4a,7,8,9,9a-hexahydro-1H-fluoren-9-ylmethanol is sourced from PubChem (CID 163639430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).