2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol

C13H20N2O3 — CID 110839989

IUPAC2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol
SMILESCCCOc1c(C=NNCCO)cccc1OC
InChIInChI=1S/C13H20N2O3/c1-3-9-18-13-11(10-15-14-7-8-16)5-4-6-12(13)17-2/h4-6,10,14,16H,3,7-9H2,1-2H3
InChIKeyOYEFGXSOXQLJJB-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.40
Rot. Bonds8

About 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol

2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol (PubChem CID 110839989) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol
PubChem CID110839989
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol
SMILESCCCOc1c(C=NNCCO)cccc1OC
InChIInChI=1S/C13H20N2O3/c1-3-9-18-13-11(10-15-14-7-8-16)5-4-6-12(13)17-2/h4-6,10,14,16H,3,7-9H2,1-2H3
InChIKeyOYEFGXSOXQLJJB-UHFFFAOYSA-N
XLogP1.40
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.40
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-methoxy-2-propoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504984
4-fluoro-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]aniline
CID 110506232
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841262
2-(4-chlorophenyl)-N-[(Z)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110515731
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
N-(4-methoxyphenyl)-N'-[(3-methoxy-2-propoxyphenyl)methylideneamino]-2-methylpropanediamide
CID 3901959
2-fluoro-N-[3-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3269745
1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508432
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(3-methoxy-2-propoxyphenyl)methylideneamino]propanamide
CID 3459146
2-(2-chloro-5-methoxyphenyl)-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]acetamide
CID 110524998
2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840063

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol (CID 110839989) is 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol is CCCOc1c(C=NNCCO)cccc1OC.
What is the InChIKey of 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol?
The InChIKey is OYEFGXSOXQLJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-9-18-13-11(10-15-14-7-8-16)5-4-6-12(13)17-2/h4-6,10,14,16H,3,7-9H2,1-2H3.
What are the key properties of 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol?
2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol has a molecular weight of 252.31 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]ethanol is sourced from PubChem (CID 110839989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).