4-(propyliminomethyl)phenol

C10H13NO — CID 3609105

IUPAC4-(propyliminomethyl)phenol
SMILESCCC/N=C/c1ccc(O)cc1
InChIInChI=1S/C10H13NO/c1-2-7-11-8-9-3-5-10(12)6-4-9/h3-6,8,12H,2,7H2,1H3/b11-8+
InChIKeyZGWLQZGCQPBEIZ-DHZHZOJOSA-N
MW163.22 g/mol
LogP2.22
Rot. Bonds3

About 4-(propyliminomethyl)phenol

4-(propyliminomethyl)phenol (PubChem CID 3609105) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(propyliminomethyl)phenol.

Molecular Properties

Compound Name4-(propyliminomethyl)phenol
PubChem CID3609105
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-(propyliminomethyl)phenol
SMILESCCC/N=C/c1ccc(O)cc1
InChIInChI=1S/C10H13NO/c1-2-7-11-8-9-3-5-10(12)6-4-9/h3-6,8,12H,2,7H2,1H3/b11-8+
InChIKeyZGWLQZGCQPBEIZ-DHZHZOJOSA-N
XLogP2.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(propyliminomethyl)phenol?
The IUPAC name of 4-(propyliminomethyl)phenol (CID 3609105) is 4-(propyliminomethyl)phenol.
What is the SMILES notation for 4-(propyliminomethyl)phenol?
The canonical SMILES for 4-(propyliminomethyl)phenol is CCC/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-(propyliminomethyl)phenol?
The InChIKey is ZGWLQZGCQPBEIZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-7-11-8-9-3-5-10(12)6-4-9/h3-6,8,12H,2,7H2,1H3/b11-8+.
What are the key properties of 4-(propyliminomethyl)phenol?
4-(propyliminomethyl)phenol has a molecular weight of 163.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propyliminomethyl)phenol is sourced from PubChem (CID 3609105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).