2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol

C14H14FNO3 — CID 107711014

IUPAC2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol
SMILESCC(Nc1ccc(O)c(F)c1)c1c(O)cccc1O
InChIInChI=1S/C14H14FNO3/c1-8(14-12(18)3-2-4-13(14)19)16-9-5-6-11(17)10(15)7-9/h2-8,16-19H,1H3
InChIKeyDZLSXJZUMYULBJ-UHFFFAOYSA-N
MW263.27 g/mol
LogP3.12
Rot. Bonds3

About 2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol

2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol (PubChem CID 107711014) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol
PubChem CID107711014
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol
SMILESCC(Nc1ccc(O)c(F)c1)c1c(O)cccc1O
InChIInChI=1S/C14H14FNO3/c1-8(14-12(18)3-2-4-13(14)19)16-9-5-6-11(17)10(15)7-9/h2-8,16-19H,1H3
InChIKeyDZLSXJZUMYULBJ-UHFFFAOYSA-N
XLogP3.12
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
CID 64793713
2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol
CID 64795020
2-[1-(3-methylsulfanylanilino)ethyl]benzene-1,3-diol
CID 107710302
4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol
CID 64792600
2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol
CID 107711042
2-[1-(3-bromoanilino)ethyl]benzene-1,3-diol
CID 107710405
4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol
CID 82774122
2-[1-(3-methylsulfonylanilino)ethyl]benzene-1,3-diol
CID 107710778
2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
CID 64793529
2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol
CID 107711179
2-[1-(4-propylanilino)ethyl]benzene-1,3-diol
CID 107710477
2-fluoro-4-(hex-5-en-2-ylamino)phenol
CID 104655724

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol (CID 107711014) is 2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol is CC(Nc1ccc(O)c(F)c1)c1c(O)cccc1O.
What is the InChIKey of 2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol?
The InChIKey is DZLSXJZUMYULBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-8(14-12(18)3-2-4-13(14)19)16-9-5-6-11(17)10(15)7-9/h2-8,16-19H,1H3.
What are the key properties of 2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol?
2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol has a molecular weight of 263.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107711014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).