[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol

C18H24NO3P — CID 3575235

IUPAC[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol
SMILESCC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1
InChIInChI=1S/C18H24NO3P/c1-14(2)22-23(21,18(20)15-8-6-5-7-9-15)17-12-10-16(11-13-17)19(3)4/h5-14,18,20H,1-4H3
InChIKeyVUIAPOKLTRGWGO-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.77
Rot. Bonds6

About [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol

[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol (PubChem CID 3575235) has the molecular formula C18H24NO3P and a molecular weight of 333.37 g/mol. Its IUPAC name is [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol.

Molecular Properties

Compound Name[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol
PubChem CID3575235
Molecular FormulaC18H24NO3P
Molecular Weight333.37 g/mol
Exact Mass333.15
IUPAC Name[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol
SMILESCC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1
InChIInChI=1S/C18H24NO3P/c1-14(2)22-23(21,18(20)15-8-6-5-7-9-15)17-12-10-16(11-13-17)19(3)4/h5-14,18,20H,1-4H3
InChIKeyVUIAPOKLTRGWGO-UHFFFAOYSA-N
XLogP3.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol?
The IUPAC name of [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol (CID 3575235) is [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol.
What is the SMILES notation for [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol?
The canonical SMILES for [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol is CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1.
What is the InChIKey of [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol?
The InChIKey is VUIAPOKLTRGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO3P/c1-14(2)22-23(21,18(20)15-8-6-5-7-9-15)17-12-10-16(11-13-17)19(3)4/h5-14,18,20H,1-4H3.
What are the key properties of [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol?
[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol has a molecular weight of 333.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-phenylmethanol is sourced from PubChem (CID 3575235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).