3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol

C15H16N2O3 — CID 4137951

IUPAC3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
SMILESCOc1cc(O)c(C=NNc2ccccc2)c(OC)c1
InChIInChI=1S/C15H16N2O3/c1-19-12-8-14(18)13(15(9-12)20-2)10-16-17-11-6-4-3-5-7-11/h3-10,17-18H,1-2H3
InChIKeyBSKGJWFAILWKPG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.86
Rot. Bonds5

About 3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol

3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol (PubChem CID 4137951) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
PubChem CID4137951
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
SMILESCOc1cc(O)c(C=NNc2ccccc2)c(OC)c1
InChIInChI=1S/C15H16N2O3/c1-19-12-8-14(18)13(15(9-12)20-2)10-16-17-11-6-4-3-5-7-11/h3-10,17-18H,1-2H3
InChIKeyBSKGJWFAILWKPG-UHFFFAOYSA-N
XLogP2.86
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531
N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
CID 135615813
3-methoxy-4-[(phenylhydrazinylidene)methyl]phenol
CID 169381641
4-[3,5-dimethoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]butanoic acid
CID 169381839
[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 5092533
[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 135679545
[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea
CID 136717021
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
CID 126015225
4-bromo-2-methoxy-5-[(phenylhydrazinylidene)methyl]phenol
CID 169381526
2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
CID 135455777
N-[(2,4,6-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 4235681
N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 169383624

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol (CID 4137951) is 3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol is COc1cc(O)c(C=NNc2ccccc2)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol?
The InChIKey is BSKGJWFAILWKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-12-8-14(18)13(15(9-12)20-2)10-16-17-11-6-4-3-5-7-11/h3-10,17-18H,1-2H3.
What are the key properties of 3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol?
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol has a molecular weight of 272.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 4137951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).