(1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane

C24H25FI2NO3P — CID 143439196

IUPAC(1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane
SMILESCC[C@H](O)c1ccc(F)cc1.O=C1C[C@@H](c2ccc(O)cc2)N1c1ccc(I)cc1.PI
InChIInChI=1S/C15H12INO2.C9H11FO.H2IP/c16-11-3-5-12(6-4-11)17-14(9-15(17)19)10-1-7-13(18)8-2-10;1-2-9(11)7-3-5-8(10)6-4-7;1-2/h1-8,14,18H,9H2;3-6,9,11H,2H2,1H3;2H2/t14-;9-;/m00./s1
InChIKeyKLRDLKLGDUSECY-MPSYHLDTSA-N
MW679.25 g/mol
LogP6.96
Rot. Bonds4

About (1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane

(1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane (PubChem CID 143439196) has the molecular formula C24H25FI2NO3P and a molecular weight of 679.25 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane
PubChem CID143439196
Molecular FormulaC24H25FI2NO3P
Molecular Weight679.25 g/mol
Exact Mass678.96
IUPAC Name(1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane
SMILESCC[C@H](O)c1ccc(F)cc1.O=C1C[C@@H](c2ccc(O)cc2)N1c1ccc(I)cc1.PI
InChIInChI=1S/C15H12INO2.C9H11FO.H2IP/c16-11-3-5-12(6-4-11)17-14(9-15(17)19)10-1-7-13(18)8-2-10;1-2-9(11)7-3-5-8(10)6-4-7;1-2/h1-8,14,18H,9H2;3-6,9,11H,2H2,1H3;2H2/t14-;9-;/m00./s1
InChIKeyKLRDLKLGDUSECY-MPSYHLDTSA-N
XLogP6.96
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.25
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;(1S)-1-(4-fluorophenyl)propan-1-ol
CID 143251553
1,4-bis[4-(4-hydroxybutyl)phenyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-ol
CID 143721518
1-(4-fluorophenyl)-4-methylazetidin-2-one;1-(4-fluorophenyl)propan-1-ol;4-methylphenol
CID 142157318
1,4-bis[4-[3,4-dihydroxy-3-(hydroxymethyl)butyl]phenyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-ol
CID 143721615
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one;1-(4-fluorophenyl)propan-1-one
CID 145351703
1-(4-fluorophenyl)propan-1-ol;[4-[2-(4-methylphenyl)-4-oxoazetidin-1-yl]phenyl] trifluoromethanesulfonate
CID 143669022
(4S)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one
CID 59264461
4-[4-[3,4-dihydroxy-3-(hydroxymethyl)butyl]phenyl]-1-[4-(4-methylsulfanylbutyl)phenyl]azetidin-2-one;1-(4-fluorophenyl)propan-1-ol
CID 143721504
1-(4-hydroxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 143669012
(4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)azetidin-2-one
CID 71316703
(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)azetidin-2-one
CID 11101767
(3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
CID 54156639

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane?
The IUPAC name of (1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane (CID 143439196) is (1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane?
The canonical SMILES for (1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane is CC[C@H](O)c1ccc(F)cc1.O=C1C[C@@H](c2ccc(O)cc2)N1c1ccc(I)cc1.PI.
What is the InChIKey of (1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane?
The InChIKey is KLRDLKLGDUSECY-MPSYHLDTSA-N. The full InChI is InChI=1S/C15H12INO2.C9H11FO.H2IP/c16-11-3-5-12(6-4-11)17-14(9-15(17)19)10-1-7-13(18)8-2-10;1-2-9(11)7-3-5-8(10)6-4-7;1-2/h1-8,14,18H,9H2;3-6,9,11H,2H2,1H3;2H2/t14-;9-;/m00./s1.
What are the key properties of (1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane?
(1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane has a molecular weight of 679.25 g/mol, XLogP of 6.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)propan-1-ol;(4S)-4-(4-hydroxyphenyl)-1-(4-iodophenyl)azetidin-2-one;iodophosphane is sourced from PubChem (CID 143439196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).