(1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol

C17H15NO3 — CID 23263853

IUPAC(1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol
SMILESO=[N+]([O-])c1ccc(/C=C/C(O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H15NO3/c19-17(12-8-14-4-2-1-3-5-14)13-9-15-6-10-16(11-7-15)18(20)21/h1-13,17,19H/b12-8+,13-9+
InChIKeyQPEUVQRPZQEGQK-QHKWOANTSA-N
MW281.31 g/mol
LogP3.68
Rot. Bonds5

About (1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol

(1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol (PubChem CID 23263853) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol.

Molecular Properties

Compound Name(1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol
PubChem CID23263853
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol
SMILESO=[N+]([O-])c1ccc(/C=C/C(O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H15NO3/c19-17(12-8-14-4-2-1-3-5-14)13-9-15-6-10-16(11-7-15)18(20)21/h1-13,17,19H/b12-8+,13-9+
InChIKeyQPEUVQRPZQEGQK-QHKWOANTSA-N
XLogP3.68
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol
CID 23263855
(E,2S)-4-(4-nitrophenyl)but-3-en-2-ol
CID 23730866
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
(E,3R)-4,4-dimethyl-1-(4-nitrophenyl)pent-1-en-3-ol
CID 171365744
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
4-nitro-N-[(E)-4-phenylbut-3-en-2-yl]aniline
CID 177450662
(E)-4-hydroxy-6-(4-nitrophenyl)hex-5-en-2-one
CID 11333795
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
(E)-2-[(E)-5-(4-nitrophenyl)pent-4-enyl]-7-phenylhept-6-enoic acid
CID 11211546

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol?
The IUPAC name of (1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol (CID 23263853) is (1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol.
What is the SMILES notation for (1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol?
The canonical SMILES for (1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol is O=[N+]([O-])c1ccc(/C=C/C(O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol?
The InChIKey is QPEUVQRPZQEGQK-QHKWOANTSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(12-8-14-4-2-1-3-5-14)13-9-15-6-10-16(11-7-15)18(20)21/h1-13,17,19H/b12-8+,13-9+.
What are the key properties of (1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol?
(1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol has a molecular weight of 281.31 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol is sourced from PubChem (CID 23263853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).