2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol

C16H14FNO2 — CID 66515962

IUPAC2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol
SMILESN[C@H](CO)c1cc(C#Cc2ccc(F)cc2)ccc1O
InChIInChI=1S/C16H14FNO2/c17-13-6-3-11(4-7-13)1-2-12-5-8-16(20)14(9-12)15(18)10-19/h3-9,15,19-20H,10,18H2/t15-/m1/s1
InChIKeyBBNWESCZDXAYGV-OAHLLOKOSA-N
MW271.29 g/mol
LogP1.92
Rot. Bonds2

About 2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol

2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol (PubChem CID 66515962) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol
PubChem CID66515962
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol
SMILESN[C@H](CO)c1cc(C#Cc2ccc(F)cc2)ccc1O
InChIInChI=1S/C16H14FNO2/c17-13-6-3-11(4-7-13)1-2-12-5-8-16(20)14(9-12)15(18)10-19/h3-9,15,19-20H,10,18H2/t15-/m1/s1
InChIKeyBBNWESCZDXAYGV-OAHLLOKOSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxybenzonitrile
CID 55262887
2-[(1S)-1-amino-2-hydroxyethyl]-4-(aminomethyl)phenol
CID 55274535
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
2-[(1R)-1-amino-3,3-difluoropropyl]-4-fluorophenol;hydrochloride
CID 171313455
2-[(1S)-1-amino-2-hydroxyethyl]-4-tert-butylphenol
CID 66514668
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
3-[(1S)-1-amino-2-hydroxyethyl]-4-hydroxybenzoic acid
CID 55276793
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
(2R)-2-amino-2-[2-(difluoromethyl)-5-fluorophenyl]ethanol
CID 66514186
2-amino-2-(2-bromo-5-fluorophenyl)ethanol
CID 77130177
2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
CID 162344095
4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol?
The IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol (CID 66515962) is 2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol?
The canonical SMILES for 2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol is N[C@H](CO)c1cc(C#Cc2ccc(F)cc2)ccc1O.
What is the InChIKey of 2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol?
The InChIKey is BBNWESCZDXAYGV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-13-6-3-11(4-7-13)1-2-12-5-8-16(20)14(9-12)15(18)10-19/h3-9,15,19-20H,10,18H2/t15-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol?
2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol has a molecular weight of 271.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-hydroxyethyl]-4-[2-(4-fluorophenyl)ethynyl]phenol is sourced from PubChem (CID 66515962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).