2-[3-(hydroxymethyl)phenyl]acetohydrazide

C9H12N2O2 — CID 153495753

IUPAC2-[3-(hydroxymethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1cccc(CO)c1
InChIInChI=1S/C9H12N2O2/c10-11-9(13)5-7-2-1-3-8(4-7)6-12/h1-4,12H,5-6,10H2,(H,11,13)
InChIKeyQMEPMQAZHYFEMF-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.29
Rot. Bonds3

About 2-[3-(hydroxymethyl)phenyl]acetohydrazide

2-[3-(hydroxymethyl)phenyl]acetohydrazide (PubChem CID 153495753) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenyl]acetohydrazide
PubChem CID153495753
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-[3-(hydroxymethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1cccc(CO)c1
InChIInChI=1S/C9H12N2O2/c10-11-9(13)5-7-2-1-3-8(4-7)6-12/h1-4,12H,5-6,10H2,(H,11,13)
InChIKeyQMEPMQAZHYFEMF-UHFFFAOYSA-N
XLogP-0.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
2-[3-(trifluoromethoxy)phenyl]acetohydrazide
CID 142471729
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 63310818
2-[3-[3-(hydroxymethyl)phenyl]phenyl]acetic acid
CID 1392506
[3-(hydroxymethyl)phenyl]methyl hydrogen carbonate
CID 118200073
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetohydrazide
CID 66524077
2-[2-[3-(hydroxymethyl)phenyl]acetyl]benzoic acid
CID 153222498
3-(hydroxymethyl)-N-methoxybenzamide
CID 130675925
2-[3-(carboxylatomethyl)phenyl]acetate
CID 6931669
2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154875992
4-[2-[3-(hydroxymethyl)phenyl]ethyl]benzoic acid
CID 174540929

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenyl]acetohydrazide?
The IUPAC name of 2-[3-(hydroxymethyl)phenyl]acetohydrazide (CID 153495753) is 2-[3-(hydroxymethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenyl]acetohydrazide is NNC(=O)Cc1cccc(CO)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenyl]acetohydrazide?
The InChIKey is QMEPMQAZHYFEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-11-9(13)5-7-2-1-3-8(4-7)6-12/h1-4,12H,5-6,10H2,(H,11,13).
What are the key properties of 2-[3-(hydroxymethyl)phenyl]acetohydrazide?
2-[3-(hydroxymethyl)phenyl]acetohydrazide has a molecular weight of 180.21 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenyl]acetohydrazide is sourced from PubChem (CID 153495753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).