(Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid

C15H11NO4 — CID 1278082

IUPAC(Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C15H11NO4/c17-15(18)14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)16(19)20/h1-10H,(H,17,18)/b14-10-
InChIKeyAYKTVOLPMVPDMN-UVTDQMKNSA-N
MW269.26 g/mol
LogP3.22
Rot. Bonds4

About (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid

(Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid (PubChem CID 1278082) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid
PubChem CID1278082
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name(Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C15H11NO4/c17-15(18)14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)16(19)20/h1-10H,(H,17,18)/b14-10-
InChIKeyAYKTVOLPMVPDMN-UVTDQMKNSA-N
XLogP3.22
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-Nitrobenzoic Acid
CID 6108
(4-Nitrophenyl)acetic acid
CID 4661
3-Nitrobenzoic acid
CID 8497
2-Nitrobenzoic acid
CID 11087
3-Nitrophenylacetic acid
CID 15876
(2-Nitrophenyl)acetic acid
CID 77337
3-Methyl-4-nitrobenzoic acid
CID 18370
5-Methyl-2-nitrobenzoic acid
CID 18371
2-(4-Nitrophenyl)butyric acid
CID 24047
4-(4-Nitrophenyl)butyric acid
CID 79711
Benzyl alcohol, p-nitro-, benzoate
CID 97533
3-(4-Nitrophenyl)propanoic acid
CID 85526

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid (CID 1278082) is (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid is O=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid?
The InChIKey is AYKTVOLPMVPDMN-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H11NO4/c17-15(18)14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)16(19)20/h1-10H,(H,17,18)/b14-10-.
What are the key properties of (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid?
(Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid has a molecular weight of 269.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enoic acid is sourced from PubChem (CID 1278082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).