4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol

C14H12F3NO3 — CID 166065798

IUPAC4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol
SMILESCOc1ccc(F)c(F)c1COc1cc(N)c(F)cc1O
InChIInChI=1S/C14H12F3NO3/c1-20-12-3-2-8(15)14(17)7(12)6-21-13-5-10(18)9(16)4-11(13)19/h2-5,19H,6,18H2,1H3
InChIKeyZIDAIWXWYIEXOE-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.98
Rot. Bonds4

About 4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol

4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol (PubChem CID 166065798) has the molecular formula C14H12F3NO3 and a molecular weight of 299.25 g/mol. Its IUPAC name is 4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol.

Molecular Properties

Compound Name4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol
PubChem CID166065798
Molecular FormulaC14H12F3NO3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC Name4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol
SMILESCOc1ccc(F)c(F)c1COc1cc(N)c(F)cc1O
InChIInChI=1S/C14H12F3NO3/c1-20-12-3-2-8(15)14(17)7(12)6-21-13-5-10(18)9(16)4-11(13)19/h2-5,19H,6,18H2,1H3
InChIKeyZIDAIWXWYIEXOE-UHFFFAOYSA-N
XLogP2.98
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol?
The IUPAC name of 4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol (CID 166065798) is 4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol.
What is the SMILES notation for 4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol?
The canonical SMILES for 4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol is COc1ccc(F)c(F)c1COc1cc(N)c(F)cc1O.
What is the InChIKey of 4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol?
The InChIKey is ZIDAIWXWYIEXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3/c1-20-12-3-2-8(15)14(17)7(12)6-21-13-5-10(18)9(16)4-11(13)19/h2-5,19H,6,18H2,1H3.
What are the key properties of 4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol?
4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol has a molecular weight of 299.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2,3-difluoro-6-methoxyphenyl)methoxy]-5-fluorophenol is sourced from PubChem (CID 166065798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).