2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol

C14H13ClFNO2 — CID 126961632

IUPAC2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol
SMILESCCc1cc(O)c(Oc2ccc(N)cc2Cl)cc1F
InChIInChI=1S/C14H13ClFNO2/c1-2-8-5-12(18)14(7-11(8)16)19-13-4-3-9(17)6-10(13)15/h3-7,18H,2,17H2,1H3
InChIKeyZLSVUWSESVDDMV-UHFFFAOYSA-N
MW281.71 g/mol
LogP4.12
Rot. Bonds3

About 2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol

2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol (PubChem CID 126961632) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol
PubChem CID126961632
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol
SMILESCCc1cc(O)c(Oc2ccc(N)cc2Cl)cc1F
InChIInChI=1S/C14H13ClFNO2/c1-2-8-5-12(18)14(7-11(8)16)19-13-4-3-9(17)6-10(13)15/h3-7,18H,2,17H2,1H3
InChIKeyZLSVUWSESVDDMV-UHFFFAOYSA-N
XLogP4.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(2,5-difluorophenoxy)aniline
CID 63268649
2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol
CID 68843580
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
3-chloro-4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]aniline
CID 105362891
3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline
CID 12526908
ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
2-(2-aminoethyl)-4-chloro-5-ethylphenol
CID 83880601
4-(2-aminophenoxy)-3-chloroaniline
CID 66486738
1-[4-(2,4-dichlorophenoxy)-3-hydroxyphenyl]propan-1-one
CID 71733548
5-amino-2-(2,4-dichlorophenoxy)benzoic acid
CID 54888100
carbon dioxide;4-ethyl-3-fluoroaniline
CID 158926193

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol?
The IUPAC name of 2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol (CID 126961632) is 2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol.
What is the SMILES notation for 2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol?
The canonical SMILES for 2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol is CCc1cc(O)c(Oc2ccc(N)cc2Cl)cc1F.
What is the InChIKey of 2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol?
The InChIKey is ZLSVUWSESVDDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-2-8-5-12(18)14(7-11(8)16)19-13-4-3-9(17)6-10(13)15/h3-7,18H,2,17H2,1H3.
What are the key properties of 2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol?
2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol has a molecular weight of 281.71 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenoxy)-5-ethyl-4-fluorophenol is sourced from PubChem (CID 126961632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).