4-(2-hydroxyiminopropyl)phenol

C9H11NO2 — CID 572036

IUPAC4-(2-hydroxyiminopropyl)phenol
SMILESCC(Cc1ccc(O)cc1)=NO
InChIInChI=1S/C9H11NO2/c1-7(10-12)6-8-2-4-9(11)5-3-8/h2-5,11-12H,6H2,1H3
InChIKeyFPMWDMDLTSSKIU-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.78
Rot. Bonds2

About 4-(2-hydroxyiminopropyl)phenol

4-(2-hydroxyiminopropyl)phenol (PubChem CID 572036) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-(2-hydroxyiminopropyl)phenol.

Molecular Properties

Compound Name4-(2-hydroxyiminopropyl)phenol
PubChem CID572036
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-(2-hydroxyiminopropyl)phenol
SMILESCC(Cc1ccc(O)cc1)=NO
InChIInChI=1S/C9H11NO2/c1-7(10-12)6-8-2-4-9(11)5-3-8/h2-5,11-12H,6H2,1H3
InChIKeyFPMWDMDLTSSKIU-UHFFFAOYSA-N
XLogP1.78
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-hydroxyiminopropyl)phenol 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

N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine
CID 74031282
(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine
CID 91619623
(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine
CID 91620735
N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine
CID 130979996
5-[(2E)-2-hydroxyiminopropyl]benzene-1,3-diol
CID 55250616
(NE)-N-[1-(4-phenylphenyl)propan-2-ylidene]hydroxylamine
CID 15668083
N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine
CID 75082432
N-[1-(4-methylsulfonylphenyl)propan-2-ylidene]hydroxylamine
CID 175084201
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
(NZ)-N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 79015794
1-(4-hydroxyphenyl)propan-2-one
CID 7019274

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyiminopropyl)phenol?
The IUPAC name of 4-(2-hydroxyiminopropyl)phenol (CID 572036) is 4-(2-hydroxyiminopropyl)phenol.
What is the SMILES notation for 4-(2-hydroxyiminopropyl)phenol?
The canonical SMILES for 4-(2-hydroxyiminopropyl)phenol is CC(Cc1ccc(O)cc1)=NO.
What is the InChIKey of 4-(2-hydroxyiminopropyl)phenol?
The InChIKey is FPMWDMDLTSSKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(10-12)6-8-2-4-9(11)5-3-8/h2-5,11-12H,6H2,1H3.
What are the key properties of 4-(2-hydroxyiminopropyl)phenol?
4-(2-hydroxyiminopropyl)phenol has a molecular weight of 165.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyiminopropyl)phenol is sourced from PubChem (CID 572036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).