(E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol

C16H14FNO3 — CID 134853048

IUPAC(E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol
SMILESC1=CC=C(C=C1)/C(=C/F)/CC(C2=CC=C(C=C2)[N+](=O)[O-])O
InChIInChI=1S/C16H14FNO3/c17-11-14(12-4-2-1-3-5-12)10-16(19)13-6-8-15(9-7-13)18(20)21/h1-9,11,16,19H,10H2/b14-11+
InChIKeyALVZMVVWULOTLA-SDNWHVSQSA-N
MW287.28 g/mol
LogP3.60
Rot. Bonds4

About (E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol

(E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol (PubChem CID 134853048) has the molecular formula C16H14FNO3 and a molecular weight of 287.28 g/mol. Its IUPAC name is (E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol
PubChem CID134853048
Molecular FormulaC16H14FNO3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name(E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol
SMILESC1=CC=C(C=C1)/C(=C/F)/CC(C2=CC=C(C=C2)[N+](=O)[O-])O
InChIInChI=1S/C16H14FNO3/c17-11-14(12-4-2-1-3-5-12)10-16(19)13-6-8-15(9-7-13)18(20)21/h1-9,11,16,19H,10H2/b14-11+
InChIKeyALVZMVVWULOTLA-SDNWHVSQSA-N
XLogP3.60
TPSA66.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity366

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol 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

4-Nitrobenzyl alcohol
CID 69275
4-Nitrophenethyl alcohol
CID 7494
Chloramphenicol base
CID 69745
2-Amino-1-(4-nitrophenyl)-1,3-propanediol
CID 92743
(1S,2S)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
CID 224171
1-(4-Nitrophenyl)glycerol
CID 102764
3-Nitro-9H-fluoren-9-ol
CID 181167
(2-Nitrophenyl)(phenyl)methanol
CID 555674
(1S)-1-(4-nitrophenyl)ethan-1-ol
CID 9815318
1-(2-Nitrophenyl)ethanol
CID 97851
alpha-Methyl-3-nitrobenzenemethanol
CID 223135
1-(2-Nitrophenyl)-1,2-ethanediol
CID 555358

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol?
The IUPAC name of (E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol (CID 134853048) is (E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol.
What is the SMILES notation for (E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol?
The canonical SMILES for (E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol is C1=CC=C(C=C1)/C(=C/F)/CC(C2=CC=C(C=C2)[N+](=O)[O-])O.
What is the InChIKey of (E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol?
The InChIKey is ALVZMVVWULOTLA-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-11-14(12-4-2-1-3-5-12)10-16(19)13-6-8-15(9-7-13)18(20)21/h1-9,11,16,19H,10H2/b14-11+.
What are the key properties of (E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol?
(E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol has a molecular weight of 287.28 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-1-(4-nitrophenyl)-3-phenylbut-3-en-1-ol is sourced from PubChem (CID 134853048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).