9-hexan-2-yloxy-9H-fluorene

C19H22O — CID 126552429

IUPAC9-hexan-2-yloxy-9H-fluorene
SMILESCCCCC(C)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H22O/c1-3-4-9-14(2)20-19-17-12-7-5-10-15(17)16-11-6-8-13-18(16)19/h5-8,10-14,19H,3-4,9H2,1-2H3
InChIKeyHAXYCWPABITMIG-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.35
Rot. Bonds5

About 9-hexan-2-yloxy-9H-fluorene

9-hexan-2-yloxy-9H-fluorene (PubChem CID 126552429) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 9-hexan-2-yloxy-9H-fluorene.

Molecular Properties

Compound Name9-hexan-2-yloxy-9H-fluorene
PubChem CID126552429
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name9-hexan-2-yloxy-9H-fluorene
SMILESCCCCC(C)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H22O/c1-3-4-9-14(2)20-19-17-12-7-5-10-15(17)16-11-6-8-13-18(16)19/h5-8,10-14,19H,3-4,9H2,1-2H3
InChIKeyHAXYCWPABITMIG-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-hexan-2-yloxy-9H-fluorene?
The IUPAC name of 9-hexan-2-yloxy-9H-fluorene (CID 126552429) is 9-hexan-2-yloxy-9H-fluorene.
What is the SMILES notation for 9-hexan-2-yloxy-9H-fluorene?
The canonical SMILES for 9-hexan-2-yloxy-9H-fluorene is CCCCC(C)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-hexan-2-yloxy-9H-fluorene?
The InChIKey is HAXYCWPABITMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-3-4-9-14(2)20-19-17-12-7-5-10-15(17)16-11-6-8-13-18(16)19/h5-8,10-14,19H,3-4,9H2,1-2H3.
What are the key properties of 9-hexan-2-yloxy-9H-fluorene?
9-hexan-2-yloxy-9H-fluorene has a molecular weight of 266.38 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hexan-2-yloxy-9H-fluorene is sourced from PubChem (CID 126552429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).