1-ethoxyethanol;9H-fluorene

C17H20O2 — CID 174814195

IUPAC1-ethoxyethanol;9H-fluorene
SMILESCCOC(C)O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C4H10O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-6-4(2)5/h1-8H,9H2;4-5H,3H2,1-2H3
InChIKeyIUAHPKMUDDHNKU-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.62
Rot. Bonds2

About 1-ethoxyethanol;9H-fluorene

1-ethoxyethanol;9H-fluorene (PubChem CID 174814195) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-ethoxyethanol;9H-fluorene.

Molecular Properties

Compound Name1-ethoxyethanol;9H-fluorene
PubChem CID174814195
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-ethoxyethanol;9H-fluorene
SMILESCCOC(C)O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C4H10O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-6-4(2)5/h1-8H,9H2;4-5H,3H2,1-2H3
InChIKeyIUAHPKMUDDHNKU-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
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 1-ethoxyethanol;9H-fluorene?
The IUPAC name of 1-ethoxyethanol;9H-fluorene (CID 174814195) is 1-ethoxyethanol;9H-fluorene.
What is the SMILES notation for 1-ethoxyethanol;9H-fluorene?
The canonical SMILES for 1-ethoxyethanol;9H-fluorene is CCOC(C)O.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-ethoxyethanol;9H-fluorene?
The InChIKey is IUAHPKMUDDHNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C4H10O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-6-4(2)5/h1-8H,9H2;4-5H,3H2,1-2H3.
What are the key properties of 1-ethoxyethanol;9H-fluorene?
1-ethoxyethanol;9H-fluorene has a molecular weight of 256.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethanol;9H-fluorene is sourced from PubChem (CID 174814195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).