2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol

C17H12FNO2 — CID 135436560

IUPAC2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol
SMILESO/N=C/c1ccc(-c2ccc(O)c(F)c2)c2ccccc12
InChIInChI=1S/C17H12FNO2/c18-16-9-11(6-8-17(16)20)14-7-5-12(10-19-21)13-3-1-2-4-15(13)14/h1-10,20-21H/b19-10+
InChIKeyIQSIOBJHBCJWRX-VXLYETTFSA-N
MW281.29 g/mol
LogP4.16
Rot. Bonds2

About 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol

2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol (PubChem CID 135436560) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol
PubChem CID135436560
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol
SMILESO/N=C/c1ccc(-c2ccc(O)c(F)c2)c2ccccc12
InChIInChI=1S/C17H12FNO2/c18-16-9-11(6-8-17(16)20)14-7-5-12(10-19-21)13-3-1-2-4-15(13)14/h1-10,20-21H/b19-10+
InChIKeyIQSIOBJHBCJWRX-VXLYETTFSA-N
XLogP4.16
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 54.16
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

3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile
CID 6102691
4-(4-Hydroxyphenyl)-1-naphthaldehyde oxime
CID 135440536
1-Naphthalenecarboxaldehyde, 2-hydroxy-, [(2-hydroxy-1-naphthalenyl)methylene]hydrazone
CID 135444602
2~3~-[(E)-(Hydroxyimino)methyl][1~1~,2~1~:2~2~,3~1~-Terphenyl]-1~4~,2~4~,3~4~-Triol
CID 135567289
6-(2-Fluoro-4-hydroxy-phenyl)-naphthalen-2-ol
CID 10125290
1-Fluoro-6-(4-hydroxy-phenyl)-naphthalen-2-ol
CID 10214633
6-(2,6-Difluoro-4-hydroxy-phenyl)-naphthalen-2-ol
CID 10214708
6-(3-Fluoro-4-hydroxy-phenyl)-naphthalen-2-ol
CID 10236221
8-Fluoro-6-(4-hydroxy-phenyl)-naphthalen-2-ol
CID 10308090
6-(2,5-Difluoro-4-hydroxy-phenyl)-naphthalen-2-ol
CID 10308206
6-(3,5-Difluoro-4-hydroxy-phenyl)-naphthalen-2-ol
CID 10308207
2-Hydroxy-1-naphthaldehyde oxime
CID 135400485

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol?
The IUPAC name of 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol (CID 135436560) is 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol?
The canonical SMILES for 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol is O/N=C/c1ccc(-c2ccc(O)c(F)c2)c2ccccc12.
What is the InChIKey of 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol?
The InChIKey is IQSIOBJHBCJWRX-VXLYETTFSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-16-9-11(6-8-17(16)20)14-7-5-12(10-19-21)13-3-1-2-4-15(13)14/h1-10,20-21H/b19-10+.
What are the key properties of 2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol?
2-fluoro-4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol has a molecular weight of 281.29 g/mol, XLogP of 4.16, 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]naphthalen-1-yl]phenol is sourced from PubChem (CID 135436560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).