[[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol

C16H20NO3P — CID 3806921

IUPAC[[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol
SMILESCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1
InChIInChI=1S/C16H20NO3P/c1-17(2)14-9-11-15(12-10-14)21(19,20-3)16(18)13-7-5-4-6-8-13/h4-12,16,18H,1-3H3
InChIKeyPISBWVJTQBOEIQ-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.99
Rot. Bonds5

About [[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol

[[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol (PubChem CID 3806921) has the molecular formula C16H20NO3P and a molecular weight of 305.31 g/mol. Its IUPAC name is [[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol.

Molecular Properties

Compound Name[[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol
PubChem CID3806921
Molecular FormulaC16H20NO3P
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name[[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol
SMILESCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1
InChIInChI=1S/C16H20NO3P/c1-17(2)14-9-11-15(12-10-14)21(19,20-3)16(18)13-7-5-4-6-8-13/h4-12,16,18H,1-3H3
InChIKeyPISBWVJTQBOEIQ-UHFFFAOYSA-N
XLogP2.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.99
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]-methoxyphosphoryl]-phenylmethanol?
The IUPAC name of [[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol (CID 3806921) is [[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol.
What is the SMILES notation for [[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol?
The canonical SMILES for [[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol is COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1.
What is the InChIKey of [[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol?
The InChIKey is PISBWVJTQBOEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO3P/c1-17(2)14-9-11-15(12-10-14)21(19,20-3)16(18)13-7-5-4-6-8-13/h4-12,16,18H,1-3H3.
What are the key properties of [[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol?
[[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol has a molecular weight of 305.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethylamino)phenyl]-methoxyphosphoryl]-phenylmethanol is sourced from PubChem (CID 3806921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).