(2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal

C18H15NO4 — CID 121374011

IUPAC(2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal
SMILESCOc1ccc(C(=C\C=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H15NO4/c1-23-18-10-6-15(7-11-18)16(12-13-20)5-2-14-3-8-17(9-4-14)19(21)22/h2-13H,1H3/b5-2+,16-12-
InChIKeyNSHMILCYEPFYRE-NQHKDMHXSA-N
MW309.32 g/mol
LogP3.90
Rot. Bonds6

About (2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal

(2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal (PubChem CID 121374011) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal.

Molecular Properties

Compound Name(2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal
PubChem CID121374011
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal
SMILESCOc1ccc(C(=C\C=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H15NO4/c1-23-18-10-6-15(7-11-18)16(12-13-20)5-2-14-3-8-17(9-4-14)19(21)22/h2-13H,1H3/b5-2+,16-12-
InChIKeyNSHMILCYEPFYRE-NQHKDMHXSA-N
XLogP3.90
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

[(Z)-[amino-(4-nitrophenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 19294239
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
methyl 4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxybenzoate
CID 2404751
[4-[(1E,3Z,5E,7E)-3-(4-methoxyphenyl)-7-methyl-9-oxonona-1,3,5,7-tetraenyl]phenyl] acetate
CID 121364402
[4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-(4-nitrophenyl)prop-2-enoate
CID 5233463
(E)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one
CID 41307024
[4-[(E)-3-[(4-nitrophenyl)methoxy]-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
CID 132584465
9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene
CID 139774271
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 613031
methyl 4-[3-(4-nitrophenyl)-3-oxoprop-1-enyl]benzoate
CID 3918365
(Z)-3-(6-methoxynaphthalen-2-yl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 6213565

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal?
The IUPAC name of (2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal (CID 121374011) is (2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal.
What is the SMILES notation for (2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal?
The canonical SMILES for (2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal is COc1ccc(C(=C\C=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal?
The InChIKey is NSHMILCYEPFYRE-NQHKDMHXSA-N. The full InChI is InChI=1S/C18H15NO4/c1-23-18-10-6-15(7-11-18)16(12-13-20)5-2-14-3-8-17(9-4-14)19(21)22/h2-13H,1H3/b5-2+,16-12-.
What are the key properties of (2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal?
(2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal has a molecular weight of 309.32 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal is sourced from PubChem (CID 121374011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).