4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol

C13H10FNO2 — CID 135448372

IUPAC4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol
SMILESO/N=C/c1ccc(-c2ccc(O)cc2)cc1F
InChIInChI=1S/C13H10FNO2/c14-13-7-10(1-2-11(13)8-15-17)9-3-5-12(16)6-4-9/h1-8,16-17H/b15-8+
InChIKeyMTXLTZQHMBVGGI-OVCLIPMQSA-N
MW231.23 g/mol
LogP3.01
Rot. Bonds2

About 4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol

4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol (PubChem CID 135448372) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol.

Molecular Properties

Compound Name4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol
PubChem CID135448372
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol
SMILESO/N=C/c1ccc(-c2ccc(O)cc2)cc1F
InChIInChI=1S/C13H10FNO2/c14-13-7-10(1-2-11(13)8-15-17)9-3-5-12(16)6-4-9/h1-8,16-17H/b15-8+
InChIKeyMTXLTZQHMBVGGI-OVCLIPMQSA-N
XLogP3.01
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxybenzaldehyde oxime
CID 135408704
4-(4-Hydroxyphenyl)-1-naphthaldehyde oxime
CID 135440536
(Z)-(4-hydroxyphenyl)acetaldehyde oxime
CID 5459810
4-hydroxybenzaldehyde [(1E)-(4-hydroxyphenyl)methylene]hydrazone
CID 135460511
5-Nonylsalicylaldoxime
CID 135478032
3-Fluoro-3'-[(E)-(Hydroxyimino)methyl][1,1'-Biphenyl]-4,4'-Diol
CID 135567291
4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol
CID 135407176
2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol
CID 135436560
5-(Tert-butyl)-2-hydroxybenzenecarbaldehyde oxime
CID 135476806
2-[(E)-hydroxyiminomethyl]-4-(4-methylidenecyclohexyl)phenol
CID 137287868
Benzaldehyde, 5-dodecyl-2-hydroxy-, oxime
CID 135441937
4-Hydroxyphenylacetaldoxime
CID 5460411

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol?
The IUPAC name of 4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol (CID 135448372) is 4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol.
What is the SMILES notation for 4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol?
The canonical SMILES for 4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol is O/N=C/c1ccc(-c2ccc(O)cc2)cc1F.
What is the InChIKey of 4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol?
The InChIKey is MTXLTZQHMBVGGI-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-13-7-10(1-2-11(13)8-15-17)9-3-5-12(16)6-4-9/h1-8,16-17H/b15-8+.
What are the key properties of 4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol?
4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol has a molecular weight of 231.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-[(E)-hydroxyiminomethyl]phenyl]phenol is sourced from PubChem (CID 135448372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).