2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine

C22H23N3O3 — CID 111803114

IUPAC2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine
SMILESCOc1cccc(C(O)C/N=C(\N)Nc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C22H23N3O3/c1-27-19-11-5-7-16(13-19)21(26)15-24-22(23)25-17-8-6-12-20(14-17)28-18-9-3-2-4-10-18/h2-14,21,26H,15H2,1H3,(H3,23,24,25)
InChIKeyOPCSHVHEWPZOBR-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.95
Rot. Bonds7

About 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine

2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine (PubChem CID 111803114) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine
PubChem CID111803114
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine
SMILESCOc1cccc(C(O)C/N=C(\N)Nc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C22H23N3O3/c1-27-19-11-5-7-16(13-19)21(26)15-24-22(23)25-17-8-6-12-20(14-17)28-18-9-3-2-4-10-18/h2-14,21,26H,15H2,1H3,(H3,23,24,25)
InChIKeyOPCSHVHEWPZOBR-UHFFFAOYSA-N
XLogP3.95
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111803089
1-(3,4-dimethylphenyl)-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]guanidine
CID 111803076
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111803130
2-(3-hydroxy-2-phenylpropyl)-1-(3-methoxyphenyl)guanidine
CID 111800004
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
2-(2-hydroxy-3-phenoxypropyl)-1-(3-phenoxyphenyl)guanidine;hydrobromide
CID 167756826
2-[(2-hydroxy-5-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111813337
2-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-(3-phenoxyphenyl)guanidine
CID 111599592
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111599290
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-phenylguanidine
CID 110913378

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine?
The IUPAC name of 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine (CID 111803114) is 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine?
The canonical SMILES for 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine is COc1cccc(C(O)C/N=C(\N)Nc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine?
The InChIKey is OPCSHVHEWPZOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-19-11-5-7-16(13-19)21(26)15-24-22(23)25-17-8-6-12-20(14-17)28-18-9-3-2-4-10-18/h2-14,21,26H,15H2,1H3,(H3,23,24,25).
What are the key properties of 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine?
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine has a molecular weight of 377.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-phenoxyphenyl)guanidine is sourced from PubChem (CID 111803114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).