(3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine

C12H18N2O2 — CID 168529586

IUPAC(3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
SMILESCCOc1cc(C=NN)ccc1OC(C)C
InChIInChI=1S/C12H18N2O2/c1-4-15-12-7-10(8-14-13)5-6-11(12)16-9(2)3/h5-9H,4,13H2,1-3H3
InChIKeySOSCODGROXNECR-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.17
Rot. Bonds5

About (3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine

(3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine (PubChem CID 168529586) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
PubChem CID168529586
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
SMILESCCOc1cc(C=NN)ccc1OC(C)C
InChIInChI=1S/C12H18N2O2/c1-4-15-12-7-10(8-14-13)5-6-11(12)16-9(2)3/h5-9H,4,13H2,1-3H3
InChIKeySOSCODGROXNECR-UHFFFAOYSA-N
XLogP2.17
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

(3-methoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
CID 168529581
4-ethenyl-2-ethoxy-1-propan-2-yloxybenzene
CID 118269443
4-ethoxy-N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 110516670
N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide
CID 110506843
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 112537989
4-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 110341353
(E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enehydrazide
CID 91684434
1-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-prop-2-enylthiourea
CID 110341327
[3-ethoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methylidenehydrazine
CID 168530459
[[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]thiourea
CID 76872315
2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-ethoxyphenoxy]propanoic acid
CID 168592580
2-cyano-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enethioamide
CID 3511020

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine?
The IUPAC name of (3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine (CID 168529586) is (3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine.
What is the SMILES notation for (3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine?
The canonical SMILES for (3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine is CCOc1cc(C=NN)ccc1OC(C)C.
What is the InChIKey of (3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine?
The InChIKey is SOSCODGROXNECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-15-12-7-10(8-14-13)5-6-11(12)16-9(2)3/h5-9H,4,13H2,1-3H3.
What are the key properties of (3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine?
(3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine has a molecular weight of 222.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine is sourced from PubChem (CID 168529586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).