2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol

C22H18N2O4 — CID 3996670

IUPAC2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
SMILESCOc1ccccc1-c1nc2cc(/N=C/c3cccc(OC)c3O)ccc2o1
InChIInChI=1S/C22H18N2O4/c1-26-18-8-4-3-7-16(18)22-24-17-12-15(10-11-19(17)28-22)23-13-14-6-5-9-20(27-2)21(14)25/h3-13,25H,1-2H3/b23-13+
InChIKeyGDMFAGUECGAGKK-YDZHTSKRSA-N
MW374.40 g/mol
LogP4.97
Rot. Bonds5

About 2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol

2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol (PubChem CID 3996670) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
PubChem CID3996670
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
SMILESCOc1ccccc1-c1nc2cc(/N=C/c3cccc(OC)c3O)ccc2o1
InChIInChI=1S/C22H18N2O4/c1-26-18-8-4-3-7-16(18)22-24-17-12-15(10-11-19(17)28-22)23-13-14-6-5-9-20(27-2)21(14)25/h3-13,25H,1-2H3/b23-13+
InChIKeyGDMFAGUECGAGKK-YDZHTSKRSA-N
XLogP4.97
TPSA77.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol (CID 3996670) is 2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol is COc1ccccc1-c1nc2cc(/N=C/c3cccc(OC)c3O)ccc2o1.
What is the InChIKey of 2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol?
The InChIKey is GDMFAGUECGAGKK-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-26-18-8-4-3-7-16(18)22-24-17-12-15(10-11-19(17)28-22)23-13-14-6-5-9-20(27-2)21(14)25/h3-13,25H,1-2H3/b23-13+.
What are the key properties of 2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol?
2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol has a molecular weight of 374.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol is sourced from PubChem (CID 3996670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).