2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol

C14H12FNO2 — CID 135986104

IUPAC2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol
SMILESCc1cc(-c2ccc(O)c(F)c2)ccc1/C=N/O
InChIInChI=1S/C14H12FNO2/c1-9-6-10(2-3-12(9)8-16-18)11-4-5-14(17)13(15)7-11/h2-8,17-18H,1H3/b16-8+
InChIKeyBAYYQFHLXFZJNK-LZYBPNLTSA-N
MW245.25 g/mol
LogP3.31
Rot. Bonds2

About 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol

2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol (PubChem CID 135986104) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol
PubChem CID135986104
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol
SMILESCc1cc(-c2ccc(O)c(F)c2)ccc1/C=N/O
InChIInChI=1S/C14H12FNO2/c1-9-6-10(2-3-12(9)8-16-18)11-4-5-14(17)13(15)7-11/h2-8,17-18H,1H3/b16-8+
InChIKeyBAYYQFHLXFZJNK-LZYBPNLTSA-N
XLogP3.31
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol?
The IUPAC name of 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol (CID 135986104) is 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol.
What is the SMILES notation for 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol?
The canonical SMILES for 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol is Cc1cc(-c2ccc(O)c(F)c2)ccc1/C=N/O.
What is the InChIKey of 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol?
The InChIKey is BAYYQFHLXFZJNK-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-6-10(2-3-12(9)8-16-18)11-4-5-14(17)13(15)7-11/h2-8,17-18H,1H3/b16-8+.
What are the key properties of 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol?
2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol has a molecular weight of 245.25 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]-3-methylphenyl]phenol is sourced from PubChem (CID 135986104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).