2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol

C22H18N2O3 — CID 1040028

IUPAC2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O
InChIInChI=1S/C22H18N2O3/c1-14-6-11-18-20(12-14)27-22(24-18)15-7-9-17(10-8-15)23-13-16-4-3-5-19(26-2)21(16)25/h3-13,25H,1-2H3/b23-13+
InChIKeyZEUVOCAODZKNTL-YDZHTSKRSA-N
MW358.40 g/mol
LogP5.27
Rot. Bonds4

About 2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol

2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (PubChem CID 1040028) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
PubChem CID1040028
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O
InChIInChI=1S/C22H18N2O3/c1-14-6-11-18-20(12-14)27-22(24-18)15-7-9-17(10-8-15)23-13-16-4-3-5-19(26-2)21(16)25/h3-13,25H,1-2H3/b23-13+
InChIKeyZEUVOCAODZKNTL-YDZHTSKRSA-N
XLogP5.27
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.27
H-Bond Donors ≤ 51
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-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol (CID 1040028) is 2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is COc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O.
What is the InChIKey of 2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is ZEUVOCAODZKNTL-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-6-11-18-20(12-14)27-22(24-18)15-7-9-17(10-8-15)23-13-16-4-3-5-19(26-2)21(16)25/h3-13,25H,1-2H3/b23-13+.
What are the key properties of 2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol?
2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 358.40 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 1040028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).