4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol

C17H14FNO2S — CID 155040708

IUPAC4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol
SMILESOc1ccc(NC(O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C17H14FNO2S/c18-12-3-1-11(2-4-12)15-9-10-16(22-15)17(21)19-13-5-7-14(20)8-6-13/h1-10,17,19-21H
InChIKeyPRUBOULYLZCEPY-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.36
Rot. Bonds4

About 4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol

4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol (PubChem CID 155040708) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol.

Molecular Properties

Compound Name4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol
PubChem CID155040708
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol
SMILESOc1ccc(NC(O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C17H14FNO2S/c18-12-3-1-11(2-4-12)15-9-10-16(22-15)17(21)19-13-5-7-14(20)8-6-13/h1-10,17,19-21H
InChIKeyPRUBOULYLZCEPY-UHFFFAOYSA-N
XLogP4.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol?
The IUPAC name of 4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol (CID 155040708) is 4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol.
What is the SMILES notation for 4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol?
The canonical SMILES for 4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol is Oc1ccc(NC(O)c2ccc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol?
The InChIKey is PRUBOULYLZCEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c18-12-3-1-11(2-4-12)15-9-10-16(22-15)17(21)19-13-5-7-14(20)8-6-13/h1-10,17,19-21H.
What are the key properties of 4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol?
4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol has a molecular weight of 315.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(4-fluorophenyl)thiophen-2-yl]-hydroxymethyl]amino]phenol is sourced from PubChem (CID 155040708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).