(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol

C18H23FNO3P — CID 11863273

IUPAC(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol
SMILESCC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F
InChIInChI=1S/C18H23FNO3P/c1-13(2)23-24(22,15-11-9-14(10-12-15)20(3)4)18(21)16-7-5-6-8-17(16)19/h5-13,18,21H,1-4H3/t18-,24-/m0/s1
InChIKeyCLJIJIFISDTYTN-UUOWRZLLSA-N
MW351.36 g/mol
LogP3.91
Rot. Bonds6

About (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol

(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol (PubChem CID 11863273) has the molecular formula C18H23FNO3P and a molecular weight of 351.36 g/mol. Its IUPAC name is (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol
PubChem CID11863273
Molecular FormulaC18H23FNO3P
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Name(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol
SMILESCC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F
InChIInChI=1S/C18H23FNO3P/c1-13(2)23-24(22,15-11-9-14(10-12-15)20(3)4)18(21)16-7-5-6-8-17(16)19/h5-13,18,21H,1-4H3/t18-,24-/m0/s1
InChIKeyCLJIJIFISDTYTN-UUOWRZLLSA-N
XLogP3.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol
CID 3786964
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol
CID 11906970
(S)-[[4-(dimethylamino)phenyl]-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-(2-fluorophenyl)methanol
CID 98342119
(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 3470225
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 11862807
(R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 11863029
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol
CID 11862713
(R)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11862835
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
CID 11863010
(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 11863033
[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 3717368
4-[[anilino-(4-propan-2-ylphenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline
CID 3328597

Frequently Asked Questions

What is the IUPAC name of (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol?
The IUPAC name of (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol (CID 11863273) is (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol.
What is the SMILES notation for (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol?
The canonical SMILES for (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol is CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F.
What is the InChIKey of (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol?
The InChIKey is CLJIJIFISDTYTN-UUOWRZLLSA-N. The full InChI is InChI=1S/C18H23FNO3P/c1-13(2)23-24(22,15-11-9-14(10-12-15)20(3)4)18(21)16-7-5-6-8-17(16)19/h5-13,18,21H,1-4H3/t18-,24-/m0/s1.
What are the key properties of (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol?
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol has a molecular weight of 351.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol is sourced from PubChem (CID 11863273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).