[3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol

C15H16FNO3 — CID 63593072

IUPAC[3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol
SMILESCCOc1cc(Oc2cccc(CO)c2)c(N)cc1F
InChIInChI=1S/C15H16FNO3/c1-2-19-14-8-15(13(17)7-12(14)16)20-11-5-3-4-10(6-11)9-18/h3-8,18H,2,9,17H2,1H3
InChIKeyLFSCNQWCCRSZPV-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.09
Rot. Bonds5

About [3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol

[3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol (PubChem CID 63593072) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is [3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol
PubChem CID63593072
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name[3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol
SMILESCCOc1cc(Oc2cccc(CO)c2)c(N)cc1F
InChIInChI=1S/C15H16FNO3/c1-2-19-14-8-15(13(17)7-12(14)16)20-11-5-3-4-10(6-11)9-18/h3-8,18H,2,9,17H2,1H3
InChIKeyLFSCNQWCCRSZPV-UHFFFAOYSA-N
XLogP3.09
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-ethylphenoxy)-3-fluorophenyl]methanol
CID 28945816
5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline
CID 107259906
4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
CID 64853412
3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide
CID 79869376
2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline
CID 63593248
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
CID 28946122
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
CID 63593249
[3-(2-methoxyphenoxy)phenyl]methanol
CID 69315022
2-(3-ethylphenoxy)-6-fluoroaniline
CID 54920607

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol?
The IUPAC name of [3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol (CID 63593072) is [3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol.
What is the SMILES notation for [3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol?
The canonical SMILES for [3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol is CCOc1cc(Oc2cccc(CO)c2)c(N)cc1F.
What is the InChIKey of [3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol?
The InChIKey is LFSCNQWCCRSZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-2-19-14-8-15(13(17)7-12(14)16)20-11-5-3-4-10(6-11)9-18/h3-8,18H,2,9,17H2,1H3.
What are the key properties of [3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol?
[3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol has a molecular weight of 277.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol is sourced from PubChem (CID 63593072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).