1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol

C19H18FNO2 — CID 15509202

IUPAC1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1cccc(N2CCOCC2)c1)c1ccccc1F
InChIInChI=1S/C19H18FNO2/c1-2-19(22,17-8-3-4-9-18(17)20)15-6-5-7-16(14-15)21-10-12-23-13-11-21/h1,3-9,14,22H,10-13H2
InChIKeyGBRHWNXNFZUBFB-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol

1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol (PubChem CID 15509202) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol
PubChem CID15509202
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1cccc(N2CCOCC2)c1)c1ccccc1F
InChIInChI=1S/C19H18FNO2/c1-2-19(22,17-8-3-4-9-18(17)20)15-6-5-7-16(14-15)21-10-12-23-13-11-21/h1,3-9,14,22H,10-13H2
InChIKeyGBRHWNXNFZUBFB-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol
CID 102246642
1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
CID 22973602
1-[4-[(E)-2-[4-[1-hydroxy-1-(4-morpholin-4-ylphenyl)prop-2-ynyl]phenyl]ethenyl]phenyl]-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
CID 169006830
2-(3-morpholin-4-ylphenyl)propan-2-amine
CID 96607858
1-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
CID 22973607
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282517
4-(3-sulfanyloxyphenyl)morpholine
CID 142914398
1-phenyl-1-(4-piperazin-1-ylphenyl)prop-2-yn-1-ol
CID 86665810
4-[3-(1-phenylethenyl)phenyl]morpholine
CID 66742179
[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 110869127
2-chloro-6-fluoro-N-(2-fluoro-5-morpholin-4-ylphenyl)benzamide
CID 110362632

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol (CID 15509202) is 1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol is C#CC(O)(c1cccc(N2CCOCC2)c1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol?
The InChIKey is GBRHWNXNFZUBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-2-19(22,17-8-3-4-9-18(17)20)15-6-5-7-16(14-15)21-10-12-23-13-11-21/h1,3-9,14,22H,10-13H2.
What are the key properties of 1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol?
1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol has a molecular weight of 311.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 15509202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).