1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene

C9H13NO3 — CID 89081289

IUPAC1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene
SMILESCc1ccc(CCON(O)O)cc1
InChIInChI=1S/C9H13NO3/c1-8-2-4-9(5-3-8)6-7-13-10(11)12/h2-5,11-12H,6-7H2,1H3
InChIKeyAEPWREHRLSCGPB-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.55
Rot. Bonds4

About 1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene

1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene (PubChem CID 89081289) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene
PubChem CID89081289
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene
SMILESCc1ccc(CCON(O)O)cc1
InChIInChI=1S/C9H13NO3/c1-8-2-4-9(5-3-8)6-7-13-10(11)12/h2-5,11-12H,6-7H2,1H3
InChIKeyAEPWREHRLSCGPB-UHFFFAOYSA-N
XLogP1.55
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene 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

2-(4-methylphenyl)ethoxysilane
CID 123877685
bis[2-(4-methylphenyl)ethoxy]silane
CID 150614921
1-methyl-4-(2-prop-1-en-2-yloxyethyl)benzene
CID 131977885
2-(4-methylphenyl)ethyl nitrate
CID 54378614
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
3-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethoxy]propane-1,2-diol
CID 59739466
ethyl propanoate;2-(4-methylphenyl)ethyl propanoate
CID 156540203
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
difluoro-[3-(4-methylphenyl)propyl]silane
CID 123561628
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
2-(4-methylphenyl)(113C)ethyl 4-methylbenzenesulfonate
CID 102306165

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene?
The IUPAC name of 1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene (CID 89081289) is 1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene.
What is the SMILES notation for 1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene?
The canonical SMILES for 1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene is Cc1ccc(CCON(O)O)cc1.
What is the InChIKey of 1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene?
The InChIKey is AEPWREHRLSCGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-8-2-4-9(5-3-8)6-7-13-10(11)12/h2-5,11-12H,6-7H2,1H3.
What are the key properties of 1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene?
1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene has a molecular weight of 183.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dihydroxyamino)oxyethyl]-4-methylbenzene is sourced from PubChem (CID 89081289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).