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

C17H19ClN2O2 — CID 169385819

IUPAC1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
SMILESC=CCOc1cc(Cl)c(CNNc2ccccc2)cc1OC
InChIInChI=1S/C17H19ClN2O2/c1-3-9-22-17-11-15(18)13(10-16(17)21-2)12-19-20-14-7-5-4-6-8-14/h3-8,10-11,19-20H,1,9,12H2,2H3
InChIKeyXJRWLBVBVJMJFH-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.03
Rot. Bonds8

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

1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169385819) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169385819
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
SMILESC=CCOc1cc(Cl)c(CNNc2ccccc2)cc1OC
InChIInChI=1S/C17H19ClN2O2/c1-3-9-22-17-11-15(18)13(10-16(17)21-2)12-19-20-14-7-5-4-6-8-14/h3-8,10-11,19-20H,1,9,12H2,2H3
InChIKeyXJRWLBVBVJMJFH-UHFFFAOYSA-N
XLogP4.03
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.03
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
1-[(2,3-dibromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169386352
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine
CID 169386545
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386040
1-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385759
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]prop-2-en-1-amine
CID 66530458
1-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169386081
1-[(2-chloro-4,5-dimethoxyphenyl)methyl]-3-phenylthiourea
CID 54785560
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-4-prop-2-enoxybenzamide
CID 54785453
1-[(2,4-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384267
1-[(2,5-dimethoxyphenyl)methyl]-2-phenylhydrazine
CID 169384341

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine (CID 169385819) is 1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine is C=CCOc1cc(Cl)c(CNNc2ccccc2)cc1OC.
What is the InChIKey of 1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is XJRWLBVBVJMJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-3-9-22-17-11-15(18)13(10-16(17)21-2)12-19-20-14-7-5-4-6-8-14/h3-8,10-11,19-20H,1,9,12H2,2H3.
What are the key properties of 1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine?
1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 318.80 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169385819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).