1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine

C18H21ClN2O2 — CID 169385759

IUPAC1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
SMILESC=CCOc1c(Cl)cc(CNNc2ccccc2)cc1OCC
InChIInChI=1S/C18H21ClN2O2/c1-3-10-23-18-16(19)11-14(12-17(18)22-4-2)13-20-21-15-8-6-5-7-9-15/h3,5-9,11-12,20-21H,1,4,10,13H2,2H3
InChIKeyPDFKHBFXZWRSNC-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.42
Rot. Bonds9

About 1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine

1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169385759) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169385759
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
SMILESC=CCOc1c(Cl)cc(CNNc2ccccc2)cc1OCC
InChIInChI=1S/C18H21ClN2O2/c1-3-10-23-18-16(19)11-14(12-17(18)22-4-2)13-20-21-15-8-6-5-7-9-15/h3,5-9,11-12,20-21H,1,4,10,13H2,2H3
InChIKeyPDFKHBFXZWRSNC-UHFFFAOYSA-N
XLogP4.42
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385814
3-chloro-N-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-methylaniline
CID 126123769
1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385819
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-4-ethylaniline
CID 126127441
2-[[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylamino]methyl]-4-methyl-1H-pyrimidin-6-one
CID 135966184
(3S)-3-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylamino]azepan-2-one
CID 46993201
1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384780
1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169386352
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288906
methyl 2-[2-bromo-6-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]propanoate
CID 169386452
1-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386843

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine (CID 169385759) is 1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine is C=CCOc1c(Cl)cc(CNNc2ccccc2)cc1OCC.
What is the InChIKey of 1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is PDFKHBFXZWRSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-10-23-18-16(19)11-14(12-17(18)22-4-2)13-20-21-15-8-6-5-7-9-15/h3,5-9,11-12,20-21H,1,4,10,13H2,2H3.
What are the key properties of 1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine?
1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 332.83 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169385759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).