3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide

C14H13FN2O2 — CID 107666580

IUPAC3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccc(O)c2)c(F)c1
InChIInChI=1S/C14H13FN2O2/c15-12-7-10(14(16)17)4-5-13(12)19-8-9-2-1-3-11(18)6-9/h1-7,18H,8H2,(H3,16,17)
InChIKeyPBFQPWUEWPRVKD-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.39
Rot. Bonds4

About 3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide

3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide (PubChem CID 107666580) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
PubChem CID107666580
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2cccc(O)c2)c(F)c1
InChIInChI=1S/C14H13FN2O2/c15-12-7-10(14(16)17)4-5-13(12)19-8-9-2-1-3-11(18)6-9/h1-7,18H,8H2,(H3,16,17)
InChIKeyPBFQPWUEWPRVKD-UHFFFAOYSA-N
XLogP2.39
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
3-fluoro-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 82253424
4-[(3,4-dimethylphenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666681
4-[(2-chloro-6-fluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 82253825
3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide
CID 64853652
3-fluoro-4-[(4-methylsulfonylphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253926
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
3-fluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107666555
3-fluoro-4-[(2-methoxy-5-methylphenyl)methoxy]benzenecarboximidamide
CID 107666516
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
3-chloro-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 61388847

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide (CID 107666580) is 3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2cccc(O)c2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide?
The InChIKey is PBFQPWUEWPRVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-12-7-10(14(16)17)4-5-13(12)19-8-9-2-1-3-11(18)6-9/h1-7,18H,8H2,(H3,16,17).
What are the key properties of 3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide?
3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide has a molecular weight of 260.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 107666580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).