2,4-bis(propyliminomethyl)benzene-1,3,5-triol

C14H20N2O3 — CID 137225203

IUPAC2,4-bis(propyliminomethyl)benzene-1,3,5-triol
SMILESCCC/N=C/c1c(O)cc(O)c(/C=N/CCC)c1O
InChIInChI=1S/C14H20N2O3/c1-3-5-15-8-10-12(17)7-13(18)11(14(10)19)9-16-6-4-2/h7-9,17-19H,3-6H2,1-2H3/b15-8+,16-9+
InChIKeyPOTMNJGLWRHTLD-BVXMOGEKSA-N
MW264.32 g/mol
LogP2.46
Rot. Bonds6

About 2,4-bis(propyliminomethyl)benzene-1,3,5-triol

2,4-bis(propyliminomethyl)benzene-1,3,5-triol (PubChem CID 137225203) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,4-bis(propyliminomethyl)benzene-1,3,5-triol.

Molecular Properties

Compound Name2,4-bis(propyliminomethyl)benzene-1,3,5-triol
PubChem CID137225203
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2,4-bis(propyliminomethyl)benzene-1,3,5-triol
SMILESCCC/N=C/c1c(O)cc(O)c(/C=N/CCC)c1O
InChIInChI=1S/C14H20N2O3/c1-3-5-15-8-10-12(17)7-13(18)11(14(10)19)9-16-6-4-2/h7-9,17-19H,3-6H2,1-2H3/b15-8+,16-9+
InChIKeyPOTMNJGLWRHTLD-BVXMOGEKSA-N
XLogP2.46
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2,4-bis(propyliminomethyl)benzene-1,3,5-triol?
The IUPAC name of 2,4-bis(propyliminomethyl)benzene-1,3,5-triol (CID 137225203) is 2,4-bis(propyliminomethyl)benzene-1,3,5-triol.
What is the SMILES notation for 2,4-bis(propyliminomethyl)benzene-1,3,5-triol?
The canonical SMILES for 2,4-bis(propyliminomethyl)benzene-1,3,5-triol is CCC/N=C/c1c(O)cc(O)c(/C=N/CCC)c1O.
What is the InChIKey of 2,4-bis(propyliminomethyl)benzene-1,3,5-triol?
The InChIKey is POTMNJGLWRHTLD-BVXMOGEKSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-5-15-8-10-12(17)7-13(18)11(14(10)19)9-16-6-4-2/h7-9,17-19H,3-6H2,1-2H3/b15-8+,16-9+.
What are the key properties of 2,4-bis(propyliminomethyl)benzene-1,3,5-triol?
2,4-bis(propyliminomethyl)benzene-1,3,5-triol has a molecular weight of 264.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(propyliminomethyl)benzene-1,3,5-triol is sourced from PubChem (CID 137225203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).