azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol

C15H23NO3 — CID 174845810

IUPACazane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol
SMILESC/C=C/C=C/C(=O)O.N.OCCCc1ccccc1
InChIInChI=1S/C9H12O.C6H8O2.H3N/c10-8-4-7-9-5-2-1-3-6-9;1-2-3-4-5-6(7)8;/h1-3,5-6,10H,4,7-8H2;2-5H,1H3,(H,7,8);1H3/b;3-2+,5-4+;
InChIKeyPHZZPPPAUWOSMK-DYQIYBMZSA-N
MW265.35 g/mol
LogP2.98
Rot. Bonds5

About azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol

azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol (PubChem CID 174845810) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol.

Molecular Properties

Compound Nameazane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol
PubChem CID174845810
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameazane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol
SMILESC/C=C/C=C/C(=O)O.N.OCCCc1ccccc1
InChIInChI=1S/C9H12O.C6H8O2.H3N/c10-8-4-7-9-5-2-1-3-6-9;1-2-3-4-5-6(7)8;/h1-3,5-6,10H,4,7-8H2;2-5H,1H3,(H,7,8);1H3/b;3-2+,5-4+;
InChIKeyPHZZPPPAUWOSMK-DYQIYBMZSA-N
XLogP2.98
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-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

benzoic acid;ethanol;hexa-2,4-dienoic acid
CID 173357087
benzene;hexa-2,4-dienoic acid
CID 173310837
2-phenylethyl (4E)-hexa-2,4-dienoate
CID 137320029
benzoic acid;hexa-2,4-dienoic acid;propanoic acid
CID 87243555
N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716
ethyl-dimethyl-phenylsilane;(2E,4E)-hexa-2,4-dienoic acid
CID 175319879
N-(4-phenylbutan-2-yl)hexa-2,4-dienamide
CID 78784970
hexa-2,4-dienoic acid;sulfane
CID 173071228
(2E,4E)-hexa-2,4-dienoic acid;neodymium
CID 175104314
bis((2E,4E)-hexa-2,4-dienoic acid);hydrate
CID 175549543
henhexacontapotassium;hexakis(hexa-2,4-dienoic acid)
CID 173299279

Frequently Asked Questions

What is the IUPAC name of azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol?
The IUPAC name of azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol (CID 174845810) is azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol.
What is the SMILES notation for azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol?
The canonical SMILES for azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol is C/C=C/C=C/C(=O)O.N.OCCCc1ccccc1.
What is the InChIKey of azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol?
The InChIKey is PHZZPPPAUWOSMK-DYQIYBMZSA-N. The full InChI is InChI=1S/C9H12O.C6H8O2.H3N/c10-8-4-7-9-5-2-1-3-6-9;1-2-3-4-5-6(7)8;/h1-3,5-6,10H,4,7-8H2;2-5H,1H3,(H,7,8);1H3/b;3-2+,5-4+;.
What are the key properties of azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol?
azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2E,4E)-hexa-2,4-dienoic acid;3-phenylpropan-1-ol is sourced from PubChem (CID 174845810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).