ethoxy-(5-fluoro-1H-indol-2-yl)methanol

C11H12FNO2 — CID 166873408

IUPACethoxy-(5-fluoro-1H-indol-2-yl)methanol
SMILESCCOC(O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H12FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,11,13-14H,2H2,1H3
InChIKeySVXMLZRAYQKFHT-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.33
Rot. Bonds3

About ethoxy-(5-fluoro-1H-indol-2-yl)methanol

ethoxy-(5-fluoro-1H-indol-2-yl)methanol (PubChem CID 166873408) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is ethoxy-(5-fluoro-1H-indol-2-yl)methanol.

Molecular Properties

Compound Nameethoxy-(5-fluoro-1H-indol-2-yl)methanol
PubChem CID166873408
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Nameethoxy-(5-fluoro-1H-indol-2-yl)methanol
SMILESCCOC(O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H12FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,11,13-14H,2H2,1H3
InChIKeySVXMLZRAYQKFHT-UHFFFAOYSA-N
XLogP2.33
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
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 ethoxy-(5-fluoro-1H-indol-2-yl)methanol?
The IUPAC name of ethoxy-(5-fluoro-1H-indol-2-yl)methanol (CID 166873408) is ethoxy-(5-fluoro-1H-indol-2-yl)methanol.
What is the SMILES notation for ethoxy-(5-fluoro-1H-indol-2-yl)methanol?
The canonical SMILES for ethoxy-(5-fluoro-1H-indol-2-yl)methanol is CCOC(O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of ethoxy-(5-fluoro-1H-indol-2-yl)methanol?
The InChIKey is SVXMLZRAYQKFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,11,13-14H,2H2,1H3.
What are the key properties of ethoxy-(5-fluoro-1H-indol-2-yl)methanol?
ethoxy-(5-fluoro-1H-indol-2-yl)methanol has a molecular weight of 209.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(5-fluoro-1H-indol-2-yl)methanol is sourced from PubChem (CID 166873408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).