2,7,9-trimethoxy-9H-fluorene

C16H16O3 — CID 155898925

IUPAC2,7,9-trimethoxy-9H-fluorene
SMILESCOc1ccc2c(c1)C(OC)c1cc(OC)ccc1-2
InChIInChI=1S/C16H16O3/c1-17-10-4-6-12-13-7-5-11(18-2)9-15(13)16(19-3)14(12)8-10/h4-9,16H,1-3H3
InChIKeyCFJSUKQVZZUVJS-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.42
Rot. Bonds3

About 2,7,9-trimethoxy-9H-fluorene

2,7,9-trimethoxy-9H-fluorene (PubChem CID 155898925) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,7,9-trimethoxy-9H-fluorene.

Molecular Properties

Compound Name2,7,9-trimethoxy-9H-fluorene
PubChem CID155898925
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2,7,9-trimethoxy-9H-fluorene
SMILESCOc1ccc2c(c1)C(OC)c1cc(OC)ccc1-2
InChIInChI=1S/C16H16O3/c1-17-10-4-6-12-13-7-5-11(18-2)9-15(13)16(19-3)14(12)8-10/h4-9,16H,1-3H3
InChIKeyCFJSUKQVZZUVJS-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7,9-trimethoxy-9H-fluorene?
The IUPAC name of 2,7,9-trimethoxy-9H-fluorene (CID 155898925) is 2,7,9-trimethoxy-9H-fluorene.
What is the SMILES notation for 2,7,9-trimethoxy-9H-fluorene?
The canonical SMILES for 2,7,9-trimethoxy-9H-fluorene is COc1ccc2c(c1)C(OC)c1cc(OC)ccc1-2.
What is the InChIKey of 2,7,9-trimethoxy-9H-fluorene?
The InChIKey is CFJSUKQVZZUVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-17-10-4-6-12-13-7-5-11(18-2)9-15(13)16(19-3)14(12)8-10/h4-9,16H,1-3H3.
What are the key properties of 2,7,9-trimethoxy-9H-fluorene?
2,7,9-trimethoxy-9H-fluorene has a molecular weight of 256.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9-trimethoxy-9H-fluorene is sourced from PubChem (CID 155898925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).