4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol

C15H16FNO2 — CID 107690995

IUPAC4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol
SMILESNC(Cc1ccccc1)C(O)c1ccc(O)c(F)c1
InChIInChI=1S/C15H16FNO2/c16-12-9-11(6-7-14(12)18)15(19)13(17)8-10-4-2-1-3-5-10/h1-7,9,13,15,18-19H,8,17H2
InChIKeyIWVKRBRYNSMXMN-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.13
Rot. Bonds4

About 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol

4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol (PubChem CID 107690995) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol
PubChem CID107690995
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol
SMILESNC(Cc1ccccc1)C(O)c1ccc(O)c(F)c1
InChIInChI=1S/C15H16FNO2/c16-12-9-11(6-7-14(12)18)15(19)13(17)8-10-4-2-1-3-5-10/h1-7,9,13,15,18-19H,8,17H2
InChIKeyIWVKRBRYNSMXMN-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-1-ol
CID 62720949
2-amino-1-(3-fluoro-4-methylphenyl)-3-phenylpropan-1-ol
CID 55245369
2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
CID 55111786
2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 62720952
2-amino-1-(3-chloro-4-methylphenyl)-3-phenylpropan-1-ol
CID 106817793
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
CID 131131076
(2S,3R)-3-amino-1,1-difluoro-4-phenylbutan-2-ol
CID 97184226
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol
CID 131484001
2-amino-3-phenyl-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 62720778
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
CID 130062652

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol?
The IUPAC name of 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol (CID 107690995) is 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol.
What is the SMILES notation for 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol?
The canonical SMILES for 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol is NC(Cc1ccccc1)C(O)c1ccc(O)c(F)c1.
What is the InChIKey of 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol?
The InChIKey is IWVKRBRYNSMXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-12-9-11(6-7-14(12)18)15(19)13(17)8-10-4-2-1-3-5-10/h1-7,9,13,15,18-19H,8,17H2.
What are the key properties of 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol?
4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol has a molecular weight of 261.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol is sourced from PubChem (CID 107690995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).