9,9-dimethoxy-1-methylfluorene

C16H16O2 — CID 54227362

IUPAC9,9-dimethoxy-1-methylfluorene
SMILESCOC1(OC)c2ccccc2-c2cccc(C)c21
InChIInChI=1S/C16H16O2/c1-11-7-6-9-13-12-8-4-5-10-14(12)16(17-2,18-3)15(11)13/h4-10H,1-3H3
InChIKeyQGUNIPCNTNBTOZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.47
Rot. Bonds2

About 9,9-dimethoxy-1-methylfluorene

9,9-dimethoxy-1-methylfluorene (PubChem CID 54227362) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 9,9-dimethoxy-1-methylfluorene.

Molecular Properties

Compound Name9,9-dimethoxy-1-methylfluorene
PubChem CID54227362
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name9,9-dimethoxy-1-methylfluorene
SMILESCOC1(OC)c2ccccc2-c2cccc(C)c21
InChIInChI=1S/C16H16O2/c1-11-7-6-9-13-12-8-4-5-10-14(12)16(17-2,18-3)15(11)13/h4-10H,1-3H3
InChIKeyQGUNIPCNTNBTOZ-UHFFFAOYSA-N
XLogP3.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethoxy-1-methylfluorene?
The IUPAC name of 9,9-dimethoxy-1-methylfluorene (CID 54227362) is 9,9-dimethoxy-1-methylfluorene.
What is the SMILES notation for 9,9-dimethoxy-1-methylfluorene?
The canonical SMILES for 9,9-dimethoxy-1-methylfluorene is COC1(OC)c2ccccc2-c2cccc(C)c21.
What is the InChIKey of 9,9-dimethoxy-1-methylfluorene?
The InChIKey is QGUNIPCNTNBTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-7-6-9-13-12-8-4-5-10-14(12)16(17-2,18-3)15(11)13/h4-10H,1-3H3.
What are the key properties of 9,9-dimethoxy-1-methylfluorene?
9,9-dimethoxy-1-methylfluorene has a molecular weight of 240.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethoxy-1-methylfluorene is sourced from PubChem (CID 54227362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).