1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone

C15H12INO2 — CID 137151967

IUPAC1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2ccc(O)c(I)c2)c1
InChIInChI=1S/C15H12INO2/c1-10(18)12-3-2-4-13(8-12)17-9-11-5-6-15(19)14(16)7-11/h2-9,19H,1H3/b17-9+
InChIKeyYWBXOBOJQVVCIY-RQZCQDPDSA-N
MW365.17 g/mol
LogP3.95
Rot. Bonds3

About 1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone

1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone (PubChem CID 137151967) has the molecular formula C15H12INO2 and a molecular weight of 365.17 g/mol. Its IUPAC name is 1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone
PubChem CID137151967
Molecular FormulaC15H12INO2
Molecular Weight365.17 g/mol
Exact Mass364.99
IUPAC Name1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2ccc(O)c(I)c2)c1
InChIInChI=1S/C15H12INO2/c1-10(18)12-3-2-4-13(8-12)17-9-11-5-6-15(19)14(16)7-11/h2-9,19H,1H3/b17-9+
InChIKeyYWBXOBOJQVVCIY-RQZCQDPDSA-N
XLogP3.95
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone
CID 831103
1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 135595395
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
2-[4-[(3-acetylphenyl)iminomethyl]phenoxy]propanoic acid
CID 44714907
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354
1-[3-[(1-methylindol-3-yl)methylideneamino]phenyl]ethanone
CID 23476824
3-(dimethylamino)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137050197
4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
CID 137080518
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554
3-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid
CID 964852

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone (CID 137151967) is 1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone is CC(=O)c1cccc(/N=C/c2ccc(O)c(I)c2)c1.
What is the InChIKey of 1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone?
The InChIKey is YWBXOBOJQVVCIY-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12INO2/c1-10(18)12-3-2-4-13(8-12)17-9-11-5-6-15(19)14(16)7-11/h2-9,19H,1H3/b17-9+.
What are the key properties of 1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone?
1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone has a molecular weight of 365.17 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone is sourced from PubChem (CID 137151967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).