(E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol

C15H12N2O5 — CID 10542203

IUPAC(E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol
SMILESO=[N+]([O-])c1ccccc1/C=C(/CO)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N2O5/c18-10-12(13-6-2-4-8-15(13)17(21)22)9-11-5-1-3-7-14(11)16(19)20/h1-9,18H,10H2/b12-9-
InChIKeyWWUGYHCLFJNTGR-XFXZXTDPSA-N
MW300.27 g/mol
LogP3.04
Rot. Bonds5

About (E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol

(E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol (PubChem CID 10542203) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is (E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol
PubChem CID10542203
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name(E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol
SMILESO=[N+]([O-])c1ccccc1/C=C(/CO)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H12N2O5/c18-10-12(13-6-2-4-8-15(13)17(21)22)9-11-5-1-3-7-14(11)16(19)20/h1-9,18H,10H2/b12-9-
InChIKeyWWUGYHCLFJNTGR-XFXZXTDPSA-N
XLogP3.04
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol (CID 10542203) is (E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol is O=[N+]([O-])c1ccccc1/C=C(/CO)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol?
The InChIKey is WWUGYHCLFJNTGR-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-10-12(13-6-2-4-8-15(13)17(21)22)9-11-5-1-3-7-14(11)16(19)20/h1-9,18H,10H2/b12-9-.
What are the key properties of (E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol?
(E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol has a molecular weight of 300.27 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis(2-nitrophenyl)prop-2-en-1-ol is sourced from PubChem (CID 10542203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).