1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone

C16H15NO3 — CID 135595395

IUPAC1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
SMILESCOc1ccc(O)c(/C=N/c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H15NO3/c1-11(18)12-4-3-5-14(8-12)17-10-13-9-15(20-2)6-7-16(13)19/h3-10,19H,1-2H3/b17-10+
InChIKeySMPQQXRGCTYXIH-LICLKQGHSA-N
MW269.30 g/mol
LogP3.35
Rot. Bonds4

About 1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone

1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone (PubChem CID 135595395) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
PubChem CID135595395
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
SMILESCOc1ccc(O)c(/C=N/c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H15NO3/c1-11(18)12-4-3-5-14(8-12)17-10-13-9-15(20-2)6-7-16(13)19/h3-10,19H,1-2H3/b17-10+
InChIKeySMPQQXRGCTYXIH-LICLKQGHSA-N
XLogP3.35
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
CID 874944
3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide
CID 135758537
dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595457
4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol
CID 135855363
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone
CID 137151967
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 2768021
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 1040051

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone (CID 135595395) is 1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone is COc1ccc(O)c(/C=N/c2cccc(C(C)=O)c2)c1.
What is the InChIKey of 1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone?
The InChIKey is SMPQQXRGCTYXIH-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11(18)12-4-3-5-14(8-12)17-10-13-9-15(20-2)6-7-16(13)19/h3-10,19H,1-2H3/b17-10+.
What are the key properties of 1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone?
1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone has a molecular weight of 269.30 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone is sourced from PubChem (CID 135595395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).