1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone

C15H13NO2 — CID 135406080

IUPAC1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2ccc(O)cc2)c1
InChIInChI=1S/C15H13NO2/c1-11(17)13-3-2-4-14(9-13)16-10-12-5-7-15(18)8-6-12/h2-10,18H,1H3/b16-10+
InChIKeyXGHQRNFVORJTGR-MHWRWJLKSA-N
MW239.27 g/mol
LogP3.35
Rot. Bonds3

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

1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone (PubChem CID 135406080) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
PubChem CID135406080
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
SMILESCC(=O)c1cccc(/N=C/c2ccc(O)cc2)c1
InChIInChI=1S/C15H13NO2/c1-11(17)13-3-2-4-14(9-13)16-10-12-5-7-15(18)8-6-12/h2-10,18H,1H3/b16-10+
InChIKeyXGHQRNFVORJTGR-MHWRWJLKSA-N
XLogP3.35
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone
CID 831103
1-[3-[(4-hydroxy-3-iodophenyl)methylideneamino]phenyl]ethanone
CID 137151967
2-[4-[(3-acetylphenyl)iminomethyl]phenoxy]propanoic acid
CID 44714907
4-[(3-chlorophenyl)iminomethyl]phenol
CID 4592750
4-[(3-bromophenyl)iminomethyl]phenol
CID 868394
1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 135595395
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
1-[3-[(2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]ethanone
CID 3587554
N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide
CID 135801223
1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
CID 874944
1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone
CID 693758

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone?
The IUPAC name of 1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone (CID 135406080) is 1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone is CC(=O)c1cccc(/N=C/c2ccc(O)cc2)c1.
What is the InChIKey of 1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone?
The InChIKey is XGHQRNFVORJTGR-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11(17)13-3-2-4-14(9-13)16-10-12-5-7-15(18)8-6-12/h2-10,18H,1H3/b16-10+.
What are the key properties of 1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone?
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone has a molecular weight of 239.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone is sourced from PubChem (CID 135406080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).