5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol

C17H20FNO3 — CID 59191344

IUPAC5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol
SMILESCCc1ccc(Oc2ccc(NCCCO)cc2F)c(O)c1
InChIInChI=1S/C17H20FNO3/c1-2-12-4-6-17(15(21)10-12)22-16-7-5-13(11-14(16)18)19-8-3-9-20/h4-7,10-11,19-21H,2-3,8-9H2,1H3
InChIKeyNXVKQLQTRIXNRC-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.68
Rot. Bonds7

About 5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol

5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol (PubChem CID 59191344) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol.

Molecular Properties

Compound Name5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol
PubChem CID59191344
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol
SMILESCCc1ccc(Oc2ccc(NCCCO)cc2F)c(O)c1
InChIInChI=1S/C17H20FNO3/c1-2-12-4-6-17(15(21)10-12)22-16-7-5-13(11-14(16)18)19-8-3-9-20/h4-7,10-11,19-21H,2-3,8-9H2,1H3
InChIKeyNXVKQLQTRIXNRC-UHFFFAOYSA-N
XLogP3.68
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol?
The IUPAC name of 5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol (CID 59191344) is 5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol.
What is the SMILES notation for 5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol?
The canonical SMILES for 5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol is CCc1ccc(Oc2ccc(NCCCO)cc2F)c(O)c1.
What is the InChIKey of 5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol?
The InChIKey is NXVKQLQTRIXNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-2-12-4-6-17(15(21)10-12)22-16-7-5-13(11-14(16)18)19-8-3-9-20/h4-7,10-11,19-21H,2-3,8-9H2,1H3.
What are the key properties of 5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol?
5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol has a molecular weight of 305.35 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol is sourced from PubChem (CID 59191344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).