(2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol

C17H15NO3 — CID 23263855

IUPAC(2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol
SMILESO=[N+]([O-])c1ccc(/C=C/C=C/C(O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO3/c19-17(15-7-2-1-3-8-15)9-5-4-6-14-10-12-16(13-11-14)18(20)21/h1-13,17,19H/b6-4+,9-5+
InChIKeyNRNQVWNSMFDQQS-REZHQCRGSA-N
MW281.31 g/mol
LogP3.90
Rot. Bonds5

About (2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol

(2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol (PubChem CID 23263855) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol
PubChem CID23263855
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol
SMILESO=[N+]([O-])c1ccc(/C=C/C=C/C(O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO3/c19-17(15-7-2-1-3-8-15)9-5-4-6-14-10-12-16(13-11-14)18(20)21/h1-13,17,19H/b6-4+,9-5+
InChIKeyNRNQVWNSMFDQQS-REZHQCRGSA-N
XLogP3.90
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 ≤ 53.90
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol
CID 23263853
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
(E,2S)-4-(4-nitrophenyl)but-3-en-2-ol
CID 23730866
(2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal
CID 92856070
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
(2Z,4E)-1-(3-methylphenyl)-5-phenylpenta-2,4-dien-1-ol
CID 73292123
2-[(4-nitrophenyl)methylideneamino]-1-phenylethanol
CID 5252818
(2E,4E)-5-(4-nitrophenyl)penta-2,4-dienenitrile
CID 15061744

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol (CID 23263855) is (2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol is O=[N+]([O-])c1ccc(/C=C/C=C/C(O)c2ccccc2)cc1.
What is the InChIKey of (2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol?
The InChIKey is NRNQVWNSMFDQQS-REZHQCRGSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(15-7-2-1-3-8-15)9-5-4-6-14-10-12-16(13-11-14)18(20)21/h1-13,17,19H/b6-4+,9-5+.
What are the key properties of (2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol?
(2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol has a molecular weight of 281.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol is sourced from PubChem (CID 23263855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).