2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol

C12H17ClN2O3 — CID 110840069

IUPAC2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol
SMILESCCOc1c(Cl)cc(C=NNCCO)cc1OC
InChIInChI=1S/C12H17ClN2O3/c1-3-18-12-10(13)6-9(7-11(12)17-2)8-15-14-4-5-16/h6-8,14,16H,3-5H2,1-2H3
InChIKeyALPGZTNVCYMLIC-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.66
Rot. Bonds7

About 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol

2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol (PubChem CID 110840069) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol
PubChem CID110840069
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol
SMILESCCOc1c(Cl)cc(C=NNCCO)cc1OC
InChIInChI=1S/C12H17ClN2O3/c1-3-18-12-10(13)6-9(7-11(12)17-2)8-15-14-4-5-16/h6-8,14,16H,3-5H2,1-2H3
InChIKeyALPGZTNVCYMLIC-UHFFFAOYSA-N
XLogP1.66
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethoxy-5-methoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060280
2-[(2E)-2-[(3,5-dibromo-4-ethoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110507487
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9460784
N'-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 8931757
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518654
N-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5430843
4-chloro-N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]aniline
CID 110506062
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-ethylprop-2-en-1-amine
CID 79347670
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169228
[(E)-(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]thiourea
CID 19617933
2-[(2E)-2-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]ethanol
CID 110507462
(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 19617932

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol (CID 110840069) is 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol is CCOc1c(Cl)cc(C=NNCCO)cc1OC.
What is the InChIKey of 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol?
The InChIKey is ALPGZTNVCYMLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-3-18-12-10(13)6-9(7-11(12)17-2)8-15-14-4-5-16/h6-8,14,16H,3-5H2,1-2H3.
What are the key properties of 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol?
2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol has a molecular weight of 272.73 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]hydrazinyl]ethanol is sourced from PubChem (CID 110840069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).