3-chloro-2-methanehydrazonoyl-5-methoxyphenol

C8H9ClN2O2 — CID 168530619

IUPAC3-chloro-2-methanehydrazonoyl-5-methoxyphenol
SMILESCOc1cc(O)c(C=NN)c(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c1-13-5-2-7(9)6(4-11-10)8(12)3-5/h2-4,12H,10H2,1H3
InChIKeyHUIMFRXJTIVVQO-UHFFFAOYSA-N
MW200.63 g/mol
LogP1.35
Rot. Bonds2

About 3-chloro-2-methanehydrazonoyl-5-methoxyphenol

3-chloro-2-methanehydrazonoyl-5-methoxyphenol (PubChem CID 168530619) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 3-chloro-2-methanehydrazonoyl-5-methoxyphenol.

Molecular Properties

Compound Name3-chloro-2-methanehydrazonoyl-5-methoxyphenol
PubChem CID168530619
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name3-chloro-2-methanehydrazonoyl-5-methoxyphenol
SMILESCOc1cc(O)c(C=NN)c(Cl)c1
InChIInChI=1S/C8H9ClN2O2/c1-13-5-2-7(9)6(4-11-10)8(12)3-5/h2-4,12H,10H2,1H3
InChIKeyHUIMFRXJTIVVQO-UHFFFAOYSA-N
XLogP1.35
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-chloro-2,5-dimethoxyphenol
CID 84661730
2-bromo-3-chloro-5-methoxyphenol
CID 131293794
(NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 169239016
(3,5-dimethoxyphenyl)methylidenehydrazine
CID 131871774
2-methanehydrazonoyl-4-methoxy-6-methylphenol
CID 168529679
2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide
CID 158087991
(E)-3-(2,6-dichloro-4-methoxyphenyl)prop-2-enoic acid
CID 99769967
2-chloro-4-methoxy-6-methylaniline
CID 12909337
2-chloro-4-methoxy-6-methylphenol
CID 122163446
2-chloro-5-methoxy-3-methylphenol
CID 144544904
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea
CID 136717021

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methanehydrazonoyl-5-methoxyphenol?
The IUPAC name of 3-chloro-2-methanehydrazonoyl-5-methoxyphenol (CID 168530619) is 3-chloro-2-methanehydrazonoyl-5-methoxyphenol.
What is the SMILES notation for 3-chloro-2-methanehydrazonoyl-5-methoxyphenol?
The canonical SMILES for 3-chloro-2-methanehydrazonoyl-5-methoxyphenol is COc1cc(O)c(C=NN)c(Cl)c1.
What is the InChIKey of 3-chloro-2-methanehydrazonoyl-5-methoxyphenol?
The InChIKey is HUIMFRXJTIVVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-13-5-2-7(9)6(4-11-10)8(12)3-5/h2-4,12H,10H2,1H3.
What are the key properties of 3-chloro-2-methanehydrazonoyl-5-methoxyphenol?
3-chloro-2-methanehydrazonoyl-5-methoxyphenol has a molecular weight of 200.63 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methanehydrazonoyl-5-methoxyphenol is sourced from PubChem (CID 168530619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).