N-[[4-(hydroxymethyl)phenyl]methyl]formamide

C9H11NO2 — CID 58613645

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]formamide
SMILESO=CNCc1ccc(CO)cc1
InChIInChI=1S/C9H11NO2/c11-6-9-3-1-8(2-4-9)5-10-7-12/h1-4,7,11H,5-6H2,(H,10,12)
InChIKeyGWLAGSBKAOSBDC-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.42
Rot. Bonds4

About N-[[4-(hydroxymethyl)phenyl]methyl]formamide

N-[[4-(hydroxymethyl)phenyl]methyl]formamide (PubChem CID 58613645) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]formamide
PubChem CID58613645
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]formamide
SMILESO=CNCc1ccc(CO)cc1
InChIInChI=1S/C9H11NO2/c11-6-9-3-1-8(2-4-9)5-10-7-12/h1-4,7,11H,5-6H2,(H,10,12)
InChIKeyGWLAGSBKAOSBDC-UHFFFAOYSA-N
XLogP0.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzylformamide
CID 139060556
N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
CID 141415760
N-[(4-phenylphenyl)methyl]formamide
CID 54112237
benzene-1,2-diol;N-benzylformamide
CID 174601153
N-[(4-methylsulfinylphenyl)methyl]formamide
CID 144669609
N-[(4-methylsulfonylphenyl)methyl]formamide
CID 64992052
N-[[4-(2-methyl-1-methylsulfanylprop-1-enyl)phenyl]methyl]formamide
CID 156886658
[4-(formamidomethyl)phenyl] thiocyanate
CID 143901913
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
2-[4-(formamidomethyl)phenyl]-N,N,2-trimethylpropanamide
CID 143561250
N-[[4-(2-propan-2-ylphenyl)phenyl]methyl]formamide
CID 143478664
N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide
CID 54455314

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]formamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]formamide (CID 58613645) is N-[[4-(hydroxymethyl)phenyl]methyl]formamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]formamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]formamide is O=CNCc1ccc(CO)cc1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]formamide?
The InChIKey is GWLAGSBKAOSBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-6-9-3-1-8(2-4-9)5-10-7-12/h1-4,7,11H,5-6H2,(H,10,12).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]formamide?
N-[[4-(hydroxymethyl)phenyl]methyl]formamide has a molecular weight of 165.19 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]formamide is sourced from PubChem (CID 58613645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).