[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol

C18H23FNO3P — CID 3786964

IUPAC[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol
SMILESCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F
InChIInChI=1S/C18H23FNO3P/c1-4-13-23-24(22,15-11-9-14(10-12-15)20(2)3)18(21)16-7-5-6-8-17(16)19/h5-12,18,21H,4,13H2,1-3H3
InChIKeyXETYGTQRGLMVQW-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.91
Rot. Bonds7

About [[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol

[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol (PubChem CID 3786964) has the molecular formula C18H23FNO3P and a molecular weight of 351.36 g/mol. Its IUPAC name is [[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol
PubChem CID3786964
Molecular FormulaC18H23FNO3P
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Name[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol
SMILESCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F
InChIInChI=1S/C18H23FNO3P/c1-4-13-23-24(22,15-11-9-14(10-12-15)20(2)3)18(21)16-7-5-6-8-17(16)19/h5-12,18,21H,4,13H2,1-3H3
InChIKeyXETYGTQRGLMVQW-UHFFFAOYSA-N
XLogP3.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
CID 11863010
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol
CID 11863273
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863221
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863087
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol
CID 11862713
(S)-[[4-(dimethylamino)phenyl]-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-(2-fluorophenyl)methanol
CID 98342119
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol
CID 11862972
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 3372681
(R)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 11879084
[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(2,6-dichlorophenyl)methanol
CID 3287496

Frequently Asked Questions

What is the IUPAC name of [[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol?
The IUPAC name of [[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol (CID 3786964) is [[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol.
What is the SMILES notation for [[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol?
The canonical SMILES for [[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol is CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F.
What is the InChIKey of [[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol?
The InChIKey is XETYGTQRGLMVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FNO3P/c1-4-13-23-24(22,15-11-9-14(10-12-15)20(2)3)18(21)16-7-5-6-8-17(16)19/h5-12,18,21H,4,13H2,1-3H3.
What are the key properties of [[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol?
[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol has a molecular weight of 351.36 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol is sourced from PubChem (CID 3786964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).