4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol

C18H17NO2S — CID 833987

IUPAC4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol
SMILESOc1ccc(NCc2ccc(OCc3cccs3)cc2)cc1
InChIInChI=1S/C18H17NO2S/c20-16-7-5-15(6-8-16)19-12-14-3-9-17(10-4-14)21-13-18-2-1-11-22-18/h1-11,19-20H,12-13H2
InChIKeyZVBTXDMDRRQMLM-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.64
Rot. Bonds6

About 4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol

4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol (PubChem CID 833987) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol.

Molecular Properties

Compound Name4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol
PubChem CID833987
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol
SMILESOc1ccc(NCc2ccc(OCc3cccs3)cc2)cc1
InChIInChI=1S/C18H17NO2S/c20-16-7-5-15(6-8-16)19-12-14-3-9-17(10-4-14)21-13-18-2-1-11-22-18/h1-11,19-20H,12-13H2
InChIKeyZVBTXDMDRRQMLM-UHFFFAOYSA-N
XLogP4.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol?
The IUPAC name of 4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol (CID 833987) is 4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol.
What is the SMILES notation for 4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol?
The canonical SMILES for 4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol is Oc1ccc(NCc2ccc(OCc3cccs3)cc2)cc1.
What is the InChIKey of 4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol?
The InChIKey is ZVBTXDMDRRQMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c20-16-7-5-15(6-8-16)19-12-14-3-9-17(10-4-14)21-13-18-2-1-11-22-18/h1-11,19-20H,12-13H2.
What are the key properties of 4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol?
4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol has a molecular weight of 311.41 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenol is sourced from PubChem (CID 833987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).