2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol

C14H10ClNO2 — CID 142621773

IUPAC2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol
SMILESO=Nc1ccc(O)c(/C=C/c2cccc(Cl)c2)c1
InChIInChI=1S/C14H10ClNO2/c15-12-3-1-2-10(8-12)4-5-11-9-13(16-18)6-7-14(11)17/h1-9,17H/b5-4+
InChIKeyKCHGKQGNNBZCAB-SNAWJCMRSA-N
MW259.69 g/mol
LogP4.61
Rot. Bonds3

About 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol

2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol (PubChem CID 142621773) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol.

Molecular Properties

Compound Name2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol
PubChem CID142621773
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol
SMILESO=Nc1ccc(O)c(/C=C/c2cccc(Cl)c2)c1
InChIInChI=1S/C14H10ClNO2/c15-12-3-1-2-10(8-12)4-5-11-9-13(16-18)6-7-14(11)17/h1-9,17H/b5-4+
InChIKeyKCHGKQGNNBZCAB-SNAWJCMRSA-N
XLogP4.61
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol?
The IUPAC name of 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol (CID 142621773) is 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol.
What is the SMILES notation for 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol?
The canonical SMILES for 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol is O=Nc1ccc(O)c(/C=C/c2cccc(Cl)c2)c1.
What is the InChIKey of 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol?
The InChIKey is KCHGKQGNNBZCAB-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-12-3-1-2-10(8-12)4-5-11-9-13(16-18)6-7-14(11)17/h1-9,17H/b5-4+.
What are the key properties of 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol?
2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol has a molecular weight of 259.69 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-chlorophenyl)ethenyl]-4-nitrosophenol is sourced from PubChem (CID 142621773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).