2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol

C12H18N2O2 — CID 110839992

IUPAC2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol
SMILESCCCOc1ccc(C=NNCCO)cc1
InChIInChI=1S/C12H18N2O2/c1-2-9-16-12-5-3-11(4-6-12)10-14-13-7-8-15/h3-6,10,13,15H,2,7-9H2,1H3
InChIKeySQTSOXIDGUUEPW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.39
Rot. Bonds7

About 2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol

2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol (PubChem CID 110839992) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol
PubChem CID110839992
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol
SMILESCCCOc1ccc(C=NNCCO)cc1
InChIInChI=1S/C12H18N2O2/c1-2-9-16-12-5-3-11(4-6-12)10-14-13-7-8-15/h3-6,10,13,15H,2,7-9H2,1H3
InChIKeySQTSOXIDGUUEPW-UHFFFAOYSA-N
XLogP1.39
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.39
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

2-[2-[[4-(4-tert-butylphenoxy)phenyl]methylidene]hydrazinyl]ethanol
CID 110840096
[(E)-(4-propoxyphenyl)methylideneamino]thiourea
CID 6881283
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
4-[(2-hydroxyethylhydrazinylidene)methyl]phenol
CID 136704591
4-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110505467
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988898
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-methyl-N-[(E)-(4-propoxyphenyl)methylideneamino]methanamine
CID 110337853

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol (CID 110839992) is 2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol is CCCOc1ccc(C=NNCCO)cc1.
What is the InChIKey of 2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol?
The InChIKey is SQTSOXIDGUUEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-9-16-12-5-3-11(4-6-12)10-14-13-7-8-15/h3-6,10,13,15H,2,7-9H2,1H3.
What are the key properties of 2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol?
2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol has a molecular weight of 222.29 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-propoxyphenyl)methylidene]hydrazinyl]ethanol is sourced from PubChem (CID 110839992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).