3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one

C22H16FNO2 — CID 171147963

IUPAC3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(F)cc1)c1ccc(/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C22H16FNO2/c23-19-8-1-16(2-9-19)5-14-22(26)18-6-10-20(11-7-18)24-15-17-3-12-21(25)13-4-17/h1-15,25H/b14-5?,24-15+
InChIKeyRHDZKJVFBUZJEL-XNPOYSAQSA-N
MW345.37 g/mol
LogP5.18
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one

3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one (PubChem CID 171147963) has the molecular formula C22H16FNO2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one
PubChem CID171147963
Molecular FormulaC22H16FNO2
Molecular Weight345.37 g/mol
Exact Mass345.12
IUPAC Name3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one
SMILESO=C(C=Cc1ccc(F)cc1)c1ccc(/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C22H16FNO2/c23-19-8-1-16(2-9-19)5-14-22(26)18-6-10-20(11-7-18)24-15-17-3-12-21(25)13-4-17/h1-15,25H/b14-5?,24-15+
InChIKeyRHDZKJVFBUZJEL-XNPOYSAQSA-N
XLogP5.18
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.37
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one
CID 45069295
4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
CID 2306645
methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate
CID 170307380
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
3-(4-fluorophenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 4672651
(Z)-3-(3,4-dihydroxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 122707388
(E)-3-[3-(4-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 57390960
3-(4-hydroxyphenyl)-1-(1-hydroxypyridin-1-ium-4-yl)prop-2-en-1-one
CID 126959177
4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]benzonitrile
CID 7515031
(E)-1-[4-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 89136954
[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate
CID 102453857
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one (CID 171147963) is 3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one is O=C(C=Cc1ccc(F)cc1)c1ccc(/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one?
The InChIKey is RHDZKJVFBUZJEL-XNPOYSAQSA-N. The full InChI is InChI=1S/C22H16FNO2/c23-19-8-1-16(2-9-19)5-14-22(26)18-6-10-20(11-7-18)24-15-17-3-12-21(25)13-4-17/h1-15,25H/b14-5?,24-15+.
What are the key properties of 3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one?
3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one has a molecular weight of 345.37 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one is sourced from PubChem (CID 171147963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).