1-(3-hydroxyphenyl)-2-iminoethanone

C8H7NO2 — CID 56609205

IUPAC1-(3-hydroxyphenyl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1cccc(O)c1
InChIInChI=1S/C8H7NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-5,9-10H/b9-5+
InChIKeySOLXBPXACVGRMW-WEVVVXLNSA-N
MW149.15 g/mol
LogP1.22
Rot. Bonds2

About 1-(3-hydroxyphenyl)-2-iminoethanone

1-(3-hydroxyphenyl)-2-iminoethanone (PubChem CID 56609205) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2-iminoethanone.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2-iminoethanone
PubChem CID56609205
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name1-(3-hydroxyphenyl)-2-iminoethanone
SMILES[H]/N=C/C(=O)c1cccc(O)c1
InChIInChI=1S/C8H7NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-5,9-10H/b9-5+
InChIKeySOLXBPXACVGRMW-WEVVVXLNSA-N
XLogP1.22
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
1-(4-benzoylphenyl)-2-iminoethanone
CID 57228817
1-[3-(4-chlorophenoxy)phenyl]-2-iminoethanone
CID 56612321
1-[3-(2-bromophenoxy)phenyl]-2-iminoethanone
CID 57035690
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
CID 66671873
CID 66671873
CID 174830791
CID 174830791
3-hydroxybenzoic acid;hydrochloride
CID 118389750
3-(3-hydroxyphenyl)-3-oxopropanal
CID 115012898
benzene-1,3-diol;benzoic acid
CID 53446063
1-(3-hydroxyphenyl)-2-methylidenebut-3-en-1-one
CID 166648585
3-hydroxybenzoyl isocyanide
CID 162773035

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2-iminoethanone?
The IUPAC name of 1-(3-hydroxyphenyl)-2-iminoethanone (CID 56609205) is 1-(3-hydroxyphenyl)-2-iminoethanone.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2-iminoethanone?
The canonical SMILES for 1-(3-hydroxyphenyl)-2-iminoethanone is [H]/N=C/C(=O)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2-iminoethanone?
The InChIKey is SOLXBPXACVGRMW-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H7NO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-5,9-10H/b9-5+.
What are the key properties of 1-(3-hydroxyphenyl)-2-iminoethanone?
1-(3-hydroxyphenyl)-2-iminoethanone has a molecular weight of 149.15 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2-iminoethanone is sourced from PubChem (CID 56609205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).