2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol

C16H17ClN2O2 — CID 110840047

IUPAC2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol
SMILESOCCNN=Cc1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c17-15-10-14(11-19-18-8-9-20)6-7-16(15)21-12-13-4-2-1-3-5-13/h1-7,10-11,18,20H,8-9,12H2
InChIKeyKSSPOWMYVUQAEO-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.83
Rot. Bonds7

About 2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol

2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol (PubChem CID 110840047) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol
PubChem CID110840047
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol
SMILESOCCNN=Cc1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c17-15-10-14(11-19-18-8-9-20)6-7-16(15)21-12-13-4-2-1-3-5-13/h1-7,10-11,18,20H,8-9,12H2
InChIKeyKSSPOWMYVUQAEO-UHFFFAOYSA-N
XLogP2.83
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110507323
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513
N'-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-N-methyloxamide
CID 8901800
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1342169
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841957
2-[(2E)-2-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]ethanol
CID 110507462
1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 110532874
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126316989
N-(4-chlorophenyl)-2-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]oxyacetamide
CID 126380354
2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787647
N'-[(Z)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 8930270
[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530246

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol (CID 110840047) is 2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol is OCCNN=Cc1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol?
The InChIKey is KSSPOWMYVUQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-15-10-14(11-19-18-8-9-20)6-7-16(15)21-12-13-4-2-1-3-5-13/h1-7,10-11,18,20H,8-9,12H2.
What are the key properties of 2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol?
2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol has a molecular weight of 304.78 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol is sourced from PubChem (CID 110840047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).