2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine

C18H17N3O2 — CID 3007922

IUPAC2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine
SMILESCOc1ccc(-c2ccc(-c3ccc(N=C(N)N)cc3)o2)cc1
InChIInChI=1S/C18H17N3O2/c1-22-15-8-4-13(5-9-15)17-11-10-16(23-17)12-2-6-14(7-3-12)21-18(19)20/h2-11H,1H3,(H4,19,20,21)
InChIKeyZOAWQFDCMYAGTF-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.53
Rot. Bonds4

About 2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine

2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine (PubChem CID 3007922) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine.

Molecular Properties

Compound Name2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine
PubChem CID3007922
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine
SMILESCOc1ccc(-c2ccc(-c3ccc(N=C(N)N)cc3)o2)cc1
InChIInChI=1S/C18H17N3O2/c1-22-15-8-4-13(5-9-15)17-11-10-16(23-17)12-2-6-14(7-3-12)21-18(19)20/h2-11H,1H3,(H4,19,20,21)
InChIKeyZOAWQFDCMYAGTF-UHFFFAOYSA-N
XLogP3.53
TPSA86.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
methanimidamide;2-[4-[5-[5-[4-(methylamino)phenyl]furan-2-yl]furan-2-yl]phenyl]guanidine
CID 156797933
N'-(4-methoxyphenyl)propanimidamide
CID 63174454
(4-methoxyphenyl) (NE)-N-[amino-[4-[5-[4-[(E)-N'-(4-methoxyphenoxy)carbonylcarbamimidoyl]phenyl]furan-2-yl]phenyl]methylidene]carbamate
CID 6476093
4-(4-methoxyphenyl)sulfanylaniline;bis(2-[4-(4-methoxyphenyl)sulfanylphenyl]guanidine)
CID 157303720
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
[5-(4-methoxyphenyl)furan-2-yl] acetate
CID 56931214
2-tert-butyl-5-(4-methoxyphenyl)furan
CID 59671510
2-(2-methoxyphenyl)-5-(4-methoxyphenyl)furan
CID 132514365
1,2,3-tris(4-methoxyphenyl)guanidine
CID 12737122

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine?
The IUPAC name of 2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine (CID 3007922) is 2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine.
What is the SMILES notation for 2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine?
The canonical SMILES for 2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine is COc1ccc(-c2ccc(-c3ccc(N=C(N)N)cc3)o2)cc1.
What is the InChIKey of 2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine?
The InChIKey is ZOAWQFDCMYAGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-15-8-4-13(5-9-15)17-11-10-16(23-17)12-2-6-14(7-3-12)21-18(19)20/h2-11H,1H3,(H4,19,20,21).
What are the key properties of 2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine?
2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine has a molecular weight of 307.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-methoxyphenyl)furan-2-yl]phenyl]guanidine is sourced from PubChem (CID 3007922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).