2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol

C17H16N2O2 — CID 173045611

IUPAC2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
SMILESCC=C(N=Cc1ccccc1O)N=Cc1ccccc1O
InChIInChI=1S/C17H16N2O2/c1-2-17(18-11-13-7-3-5-9-15(13)20)19-12-14-8-4-6-10-16(14)21/h2-12,20-21H,1H3
InChIKeyIVGVMVCKVLPTCA-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.50
Rot. Bonds4

About 2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol

2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol (PubChem CID 173045611) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol.

Molecular Properties

Compound Name2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
PubChem CID173045611
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
SMILESCC=C(N=Cc1ccccc1O)N=Cc1ccccc1O
InChIInChI=1S/C17H16N2O2/c1-2-17(18-11-13-7-3-5-9-15(13)20)19-12-14-8-4-6-10-16(14)21/h2-12,20-21H,1H3
InChIKeyIVGVMVCKVLPTCA-UHFFFAOYSA-N
XLogP3.50
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

zinc 2-(methyliminomethyl)phenol
CID 135422153
ethane;2-(methyliminomethyl)phenol
CID 136650397
CID 155704691
CID 155704691
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768
2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135911153
2-[(E)-fluoroiminomethyl]phenol
CID 137273576
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
(E)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile;nickel
CID 137196046
sodium;hydride;2-[(Z)-hydroxyiminomethyl]phenol
CID 173437393
2-[(E)-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478776
2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol
CID 135545744

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol?
The IUPAC name of 2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol (CID 173045611) is 2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol.
What is the SMILES notation for 2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol?
The canonical SMILES for 2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol is CC=C(N=Cc1ccccc1O)N=Cc1ccccc1O.
What is the InChIKey of 2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol?
The InChIKey is IVGVMVCKVLPTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-17(18-11-13-7-3-5-9-15(13)20)19-12-14-8-4-6-10-16(14)21/h2-12,20-21H,1H3.
What are the key properties of 2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol?
2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol has a molecular weight of 280.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol is sourced from PubChem (CID 173045611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).