(1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol

C16H13FOS — CID 129363499

IUPAC(1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol
SMILESCSc1ccc(C#C[C@H](O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FOS/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,16,18H,1H3/t16-/m0/s1
InChIKeyONWGRZJESMKUCH-INIZCTEOSA-N
MW272.34 g/mol
LogP3.63
Rot. Bonds2

About (1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol

(1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol (PubChem CID 129363499) has the molecular formula C16H13FOS and a molecular weight of 272.34 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol
PubChem CID129363499
Molecular FormulaC16H13FOS
Molecular Weight272.34 g/mol
Exact Mass272.07
IUPAC Name(1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol
SMILESCSc1ccc(C#C[C@H](O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FOS/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,16,18H,1H3/t16-/m0/s1
InChIKeyONWGRZJESMKUCH-INIZCTEOSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol 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

1-(4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)prop-2-yn-1-ol
CID 11232844
1-(4-methylsulfanylphenyl)-3-trimethylsilylprop-2-yn-1-ol
CID 67313902
1-(4-fluorophenyl)but-2-yn-1-ol
CID 130515588
(2R)-4-(4-fluorophenyl)but-3-yn-2-ol
CID 45090838
1-(4-fluorophenyl)pent-2-yne-1,4-diol
CID 15701248
(1S)-4-ethyl-1-(4-methylsulfanylphenyl)hex-2-yne-1,4-diol
CID 129383928
1-[3-hydroxy-3-(4-methylsulfanylphenyl)prop-1-ynyl]cyclopentan-1-ol
CID 18386053
4-[1-hydroxy-4-[(4-methylsulfanylphenyl)methoxy]but-2-ynyl]benzonitrile
CID 56968391
[(4-fluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105284116
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
4-(1-hydroxy-3-phenylprop-2-ynyl)benzoic acid
CID 19705966
1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene
CID 71492058

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol?
The IUPAC name of (1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol (CID 129363499) is (1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol is CSc1ccc(C#C[C@H](O)c2ccc(F)cc2)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol?
The InChIKey is ONWGRZJESMKUCH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13FOS/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-3,5-10,16,18H,1H3/t16-/m0/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol?
(1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol has a molecular weight of 272.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 129363499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).