(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine

C11H15ClN2O2 — CID 168530261

IUPAC(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine
SMILESCOc1cc(Cl)cc(C=NN)c1OC(C)C
InChIInChI=1S/C11H15ClN2O2/c1-7(2)16-11-8(6-14-13)4-9(12)5-10(11)15-3/h4-7H,13H2,1-3H3
InChIKeyODBYRMUZEXCZJF-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.43
Rot. Bonds4

About (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine

(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine (PubChem CID 168530261) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine
PubChem CID168530261
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine
SMILESCOc1cc(Cl)cc(C=NN)c1OC(C)C
InChIInChI=1S/C11H15ClN2O2/c1-7(2)16-11-8(6-14-13)4-9(12)5-10(11)15-3/h4-7H,13H2,1-3H3
InChIKeyODBYRMUZEXCZJF-UHFFFAOYSA-N
XLogP2.43
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.43
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

(E)-3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)prop-2-en-1-amine
CID 117392435
(3,5-dibromo-2-propan-2-yloxyphenyl)methylidenehydrazine
CID 168530791
3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine
CID 117398109
5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117454242
[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
CID 168529149
(3-methoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
CID 168529581
3-amino-3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
CID 117464423
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083
N-(3-chloro-4-fluorophenyl)-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
CID 126021996
(2,3-dibromo-5-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
CID 168530765
5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene
CID 75486221
(NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine
CID 87389485

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine?
The IUPAC name of (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine (CID 168530261) is (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine.
What is the SMILES notation for (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine?
The canonical SMILES for (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine is COc1cc(Cl)cc(C=NN)c1OC(C)C.
What is the InChIKey of (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine?
The InChIKey is ODBYRMUZEXCZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7(2)16-11-8(6-14-13)4-9(12)5-10(11)15-3/h4-7H,13H2,1-3H3.
What are the key properties of (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine?
(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine has a molecular weight of 242.71 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine is sourced from PubChem (CID 168530261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).