1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol

C9H10FNO2 — CID 156712123

IUPAC1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol
SMILESC=C(O)c1cc(OC)c(N)cc1F
InChIInChI=1S/C9H10FNO2/c1-5(12)6-3-9(13-2)8(11)4-7(6)10/h3-4,12H,1,11H2,2H3
InChIKeySNCDTXQCOGWKHT-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.95
Rot. Bonds2

About 1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol

1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol (PubChem CID 156712123) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol.

Molecular Properties

Compound Name1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol
PubChem CID156712123
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol
SMILESC=C(O)c1cc(OC)c(N)cc1F
InChIInChI=1S/C9H10FNO2/c1-5(12)6-3-9(13-2)8(11)4-7(6)10/h3-4,12H,1,11H2,2H3
InChIKeySNCDTXQCOGWKHT-UHFFFAOYSA-N
XLogP1.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one
CID 167626065
4-amino-2-fluoro-5-methoxy-N-methylbenzamide
CID 89121907
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338
1-(5-amino-2-fluoro-4-methoxyphenyl)-2-bromoethanone
CID 171018288
4-dimethylphosphanyl-5-fluoro-2-methoxyaniline
CID 171574099
1-(4-amino-2-methoxyphenyl)ethenol
CID 89240422
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
CID 175500910
2,5-difluoro-4-methoxyaniline
CID 45090681
3-(4-amino-2-fluoro-5-methoxyphenyl)prop-2-enoic acid
CID 169460734
(5-amino-2-fluoro-4-methoxyphenyl)methanol
CID 170335540
2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide
CID 107259815

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol?
The IUPAC name of 1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol (CID 156712123) is 1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol.
What is the SMILES notation for 1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol?
The canonical SMILES for 1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol is C=C(O)c1cc(OC)c(N)cc1F.
What is the InChIKey of 1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol?
The InChIKey is SNCDTXQCOGWKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-5(12)6-3-9(13-2)8(11)4-7(6)10/h3-4,12H,1,11H2,2H3.
What are the key properties of 1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol?
1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol has a molecular weight of 183.18 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluoro-5-methoxyphenyl)ethenol is sourced from PubChem (CID 156712123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).