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

C22H18N2O3 — CID 135633846

IUPAC2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccc3nc(-c4ccccc4C)oc3c2)c1O
InChIInChI=1S/C22H18N2O3/c1-14-6-3-4-8-17(14)22-24-18-11-10-16(12-20(18)27-22)23-13-15-7-5-9-19(26-2)21(15)25/h3-13,25H,1-2H3/b23-13+
InChIKeyPEUZMVRFAXMCDP-YDZHTSKRSA-N
MW358.40 g/mol
LogP5.27
Rot. Bonds4

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

2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol (PubChem CID 135633846) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol
PubChem CID135633846
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol
SMILESCOc1cccc(/C=N/c2ccc3nc(-c4ccccc4C)oc3c2)c1O
InChIInChI=1S/C22H18N2O3/c1-14-6-3-4-8-17(14)22-24-18-11-10-16(12-20(18)27-22)23-13-15-7-5-9-19(26-2)21(15)25/h3-13,25H,1-2H3/b23-13+
InChIKeyPEUZMVRFAXMCDP-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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Related Compounds

2-methoxy-6-[[2-(2-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 3996670
2-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]-6-methoxyphenol
CID 135633849
2-[[4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]iminomethyl]-6-methoxyphenol
CID 1101470
2-methoxy-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 4219570
2-[[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxyphenol
CID 135810564
2-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxyphenol
CID 4183148
2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol
CID 135596048
4-bromo-2-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 1125948
4-bromo-2-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxyphenol
CID 1085266
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
CID 136702059
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
2-methoxy-6-[(3-methyl-2-pyridinyl)iminomethyl]phenol
CID 564866

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol?
The IUPAC name of 2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol (CID 135633846) is 2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol?
The canonical SMILES for 2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol is COc1cccc(/C=N/c2ccc3nc(-c4ccccc4C)oc3c2)c1O.
What is the InChIKey of 2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol?
The InChIKey is PEUZMVRFAXMCDP-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-6-3-4-8-17(14)22-24-18-11-10-16(12-20(18)27-22)23-13-15-7-5-9-19(26-2)21(15)25/h3-13,25H,1-2H3/b23-13+.
What are the key properties of 2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol?
2-methoxy-6-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]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-[[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]iminomethyl]phenol is sourced from PubChem (CID 135633846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).