[(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol

C14H14O — CID 126589539

IUPAC[(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol
SMILESOCC1c2ccccc2[C@H]2C=CC=CC12
InChIInChI=1S/C14H14O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,10,12,14-15H,9H2/t10-,12?,14?/m1/s1
InChIKeyIAAGBNZKWQGWFP-PWQPVHBWSA-N
MW198.27 g/mol
LogP2.60
Rot. Bonds1

About [(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol

[(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol (PubChem CID 126589539) has the molecular formula C14H14O and a molecular weight of 198.27 g/mol. Its IUPAC name is [(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol.

Molecular Properties

Compound Name[(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol
PubChem CID126589539
Molecular FormulaC14H14O
Molecular Weight198.27 g/mol
Exact Mass198.10
IUPAC Name[(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol
SMILESOCC1c2ccccc2[C@H]2C=CC=CC12
InChIInChI=1S/C14H14O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,10,12,14-15H,9H2/t10-,12?,14?/m1/s1
InChIKeyIAAGBNZKWQGWFP-PWQPVHBWSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol?
The IUPAC name of [(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol (CID 126589539) is [(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol.
What is the SMILES notation for [(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol?
The canonical SMILES for [(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol is OCC1c2ccccc2[C@H]2C=CC=CC12.
What is the InChIKey of [(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol?
The InChIKey is IAAGBNZKWQGWFP-PWQPVHBWSA-N. The full InChI is InChI=1S/C14H14O/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,10,12,14-15H,9H2/t10-,12?,14?/m1/s1.
What are the key properties of [(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol?
[(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol has a molecular weight of 198.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol is sourced from PubChem (CID 126589539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).