4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol

C14H13NO3 — CID 774534

IUPAC4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol
SMILESCOc1cccc(/N=C/c2ccc(O)cc2O)c1
InChIInChI=1S/C14H13NO3/c1-18-13-4-2-3-11(7-13)15-9-10-5-6-12(16)8-14(10)17/h2-9,16-17H,1H3/b15-9+
InChIKeyNKYUKROTGDGGHB-OQLLNIDSSA-N
MW243.26 g/mol
LogP2.86
Rot. Bonds3

About 4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol

4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol (PubChem CID 774534) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol
PubChem CID774534
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol
SMILESCOc1cccc(/N=C/c2ccc(O)cc2O)c1
InChIInChI=1S/C14H13NO3/c1-18-13-4-2-3-11(7-13)15-9-10-5-6-12(16)8-14(10)17/h2-9,16-17H,1H3/b15-9+
InChIKeyNKYUKROTGDGGHB-OQLLNIDSSA-N
XLogP2.86
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.86
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

Alpha-(4-methoxyphenylimino)-O-cresol
CID 221219
Phenol, 4-(((4-methoxyphenyl)methylene)amino)-
CID 97286
Benzene-1,3-diol, 4-(2-hydroxyphenyliminomethyl)-
CID 556793
Alpha-(3-methoxyphenylimino)-O-cresol
CID 689853
Alpha-(4-methoxyphenylimino)-P-cresol
CID 785111
5-(allyloxy)-2-{(E)-[(4-methoxyphenyl)imino]methyl}phenol
CID 3481556
3-Methoxydibenzo[B,F][1,4]Oxazepine
CID 12286507
Alpha-(2-methoxyphenylimino)-O-cresol
CID 265084
N-(3,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 132961622
Dibenzo[B,F][1,4]Oxazepin-3-O
CID 136002659
7-[(2,4-Dihydroxyphenyl)methylideneamino]-3,4-dimethylchromen-2-one
CID 136035754
4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
CID 136046149

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol (CID 774534) is 4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol is COc1cccc(/N=C/c2ccc(O)cc2O)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol?
The InChIKey is NKYUKROTGDGGHB-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-13-4-2-3-11(7-13)15-9-10-5-6-12(16)8-14(10)17/h2-9,16-17H,1H3/b15-9+.
What are the key properties of 4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol?
4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol has a molecular weight of 243.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 774534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).