1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol

C19H18FNO2 — CID 102246642

IUPAC1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H18FNO2/c1-2-19(22,15-6-4-3-5-7-15)16-8-9-18(17(20)14-16)21-10-12-23-13-11-21/h1,3-9,14,22H,10-13H2
InChIKeyQEVBNWZSBDEUEV-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.53
Rot. Bonds3

About 1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol

1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol (PubChem CID 102246642) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol
PubChem CID102246642
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol
SMILESC#CC(O)(c1ccccc1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H18FNO2/c1-2-19(22,15-6-4-3-5-7-15)16-8-9-18(17(20)14-16)21-10-12-23-13-11-21/h1,3-9,14,22H,10-13H2
InChIKeyQEVBNWZSBDEUEV-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': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-methylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
CID 22973602
1-(2-fluorophenyl)-1-(3-morpholin-4-ylphenyl)prop-2-yn-1-ol
CID 15509202
1-phenyl-1-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-yn-1-ol
CID 170985732
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
1,1-bis(4-pyrrolidin-1-ylphenyl)prop-2-yn-1-ol
CID 15508570
1-(3-fluoro-4-morpholin-4-ylphenyl)cyclopropane-1-carboxylic acid
CID 117416870
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid
CID 122034245
ethylbenzene;3-fluoro-4-morpholin-4-ylbenzaldehyde;methanol
CID 142383850
3-fluoro-4-(4-phenylpiperazin-1-yl)benzoic acid
CID 43826185
CID 158409695
CID 158409695

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol?
The IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol (CID 102246642) is 1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol?
The canonical SMILES for 1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol is C#CC(O)(c1ccccc1)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol?
The InChIKey is QEVBNWZSBDEUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-2-19(22,15-6-4-3-5-7-15)16-8-9-18(17(20)14-16)21-10-12-23-13-11-21/h1,3-9,14,22H,10-13H2.
What are the key properties of 1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol?
1-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-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-(3-fluoro-4-morpholin-4-ylphenyl)-1-phenylprop-2-yn-1-ol is sourced from PubChem (CID 102246642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).