4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol

C19H16FNO2S — CID 66808677

IUPAC4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol
SMILESNc1cc(OCc2cccc(F)c2)ccc1Sc1ccc(O)cc1
InChIInChI=1S/C19H16FNO2S/c20-14-3-1-2-13(10-14)12-23-16-6-9-19(18(21)11-16)24-17-7-4-15(22)5-8-17/h1-11,22H,12,21H2
InChIKeyFIESWUSPNJGKFN-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.84
Rot. Bonds5

About 4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol

4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol (PubChem CID 66808677) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol.

Molecular Properties

Compound Name4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol
PubChem CID66808677
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol
SMILESNc1cc(OCc2cccc(F)c2)ccc1Sc1ccc(O)cc1
InChIInChI=1S/C19H16FNO2S/c20-14-3-1-2-13(10-14)12-23-16-6-9-19(18(21)11-16)24-17-7-4-15(22)5-8-17/h1-11,22H,12,21H2
InChIKeyFIESWUSPNJGKFN-UHFFFAOYSA-N
XLogP4.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-amino-4-[(2,5-difluorophenyl)methoxy]phenyl]sulfanylphenol
CID 66808566
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
4-[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]sulfanylphenol
CID 15407959
3-amino-4-(4-hydroxyphenyl)sulfanylphenol
CID 67040301
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 83139837
4-(2,4-difluorophenyl)sulfanylphenol
CID 177164297
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol?
The IUPAC name of 4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol (CID 66808677) is 4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol.
What is the SMILES notation for 4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol?
The canonical SMILES for 4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol is Nc1cc(OCc2cccc(F)c2)ccc1Sc1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol?
The InChIKey is FIESWUSPNJGKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c20-14-3-1-2-13(10-14)12-23-16-6-9-19(18(21)11-16)24-17-7-4-15(22)5-8-17/h1-11,22H,12,21H2.
What are the key properties of 4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol?
4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol has a molecular weight of 341.41 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-[(3-fluorophenyl)methoxy]phenyl]sulfanylphenol is sourced from PubChem (CID 66808677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).