1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone

C19H15NO2 — CID 540985

IUPAC1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C19H15NO2/c1-13(21)15-6-4-7-16(11-15)20-12-18-17-8-3-2-5-14(17)9-10-19(18)22/h2-12,22H,1H3/b20-12+
InChIKeyOLBUQQPDGSJGTI-UDWIEESQSA-N
MW289.33 g/mol
LogP4.50
Rot. Bonds3

About 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone

1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone (PubChem CID 540985) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
PubChem CID540985
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C19H15NO2/c1-13(21)15-6-4-7-16(11-15)20-12-18-17-8-3-2-5-14(17)9-10-19(18)22/h2-12,22H,1H3/b20-12+
InChIKeyOLBUQQPDGSJGTI-UDWIEESQSA-N
XLogP4.50
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861567
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554
N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide
CID 137151299
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]benzamide
CID 3850135
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]acetamide
CID 155817372
3-acetamido-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135684551
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306
1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone
CID 137151967
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 135595207

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone (CID 540985) is 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone is CC(=O)c1cccc(/N=C/c2c(O)ccc3ccccc23)c1.
What is the InChIKey of 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone?
The InChIKey is OLBUQQPDGSJGTI-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15NO2/c1-13(21)15-6-4-7-16(11-15)20-12-18-17-8-3-2-5-14(17)9-10-19(18)22/h2-12,22H,1H3/b20-12+.
What are the key properties of 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone?
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone has a molecular weight of 289.33 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone is sourced from PubChem (CID 540985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).