ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine

C16H19NO2 — CID 160781047

IUPACethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(-c2ccccc2)cc1.CCO
InChIInChI=1S/C14H13NO.C2H6O/c1-11(15-16)12-7-9-14(10-8-12)13-5-3-2-4-6-13;1-2-3/h2-10,16H,1H3;3H,2H2,1H3
InChIKeySAOQJTRIQOEMFW-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.55
Rot. Bonds2

About ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine

ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine (PubChem CID 160781047) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Nameethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine
PubChem CID160781047
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Nameethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(-c2ccccc2)cc1.CCO
InChIInChI=1S/C14H13NO.C2H6O/c1-11(15-16)12-7-9-14(10-8-12)13-5-3-2-4-6-13;1-2-3/h2-10,16H,1H3;3H,2H2,1H3
InChIKeySAOQJTRIQOEMFW-UHFFFAOYSA-N
XLogP3.55
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(4-methoxyphenyl)phenyl]ethylidene]hydroxylamine
CID 87865023
ethane;(NE)-N-[1-(4-methylphenyl)ethylidene]hydroxylamine
CID 172965019
(E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine
CID 138969794
1,1'-biphenyl;ethanol;2-phenylphenol
CID 90025475
(NE)-N-[2-ethylsulfonyl-1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 102550846
2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
CID 54612215
(NE)-N-[1-(4-phenylphenyl)propan-2-ylidene]hydroxylamine
CID 15668083
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
(NZ)-N-[2-chloro-1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 125472574
1,1'-biphenyl;methanol;propane
CID 91033003
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
(NZ)-N-[1-(4-iodophenyl)ethylidene]hydroxylamine
CID 11470978

Frequently Asked Questions

What is the IUPAC name of ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine?
The IUPAC name of ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine (CID 160781047) is ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine is CC(=NO)c1ccc(-c2ccccc2)cc1.CCO.
What is the InChIKey of ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine?
The InChIKey is SAOQJTRIQOEMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.C2H6O/c1-11(15-16)12-7-9-14(10-8-12)13-5-3-2-4-6-13;1-2-3/h2-10,16H,1H3;3H,2H2,1H3.
What are the key properties of ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine?
ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine has a molecular weight of 257.33 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 160781047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).