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

C19H26NO3P — CID 3838712

IUPAC[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)P(=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H26NO3P/c1-14(2)23-24(22,18-12-10-17(11-13-18)20(4)5)19(21)16-8-6-15(3)7-9-16/h6-14,19,21H,1-5H3
InChIKeySCPISPPQCXWGRP-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.08
Rot. Bonds6

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

[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol (PubChem CID 3838712) has the molecular formula C19H26NO3P and a molecular weight of 347.40 g/mol. Its IUPAC name is [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol
PubChem CID3838712
Molecular FormulaC19H26NO3P
Molecular Weight347.40 g/mol
Exact Mass347.17
IUPAC Name[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)P(=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H26NO3P/c1-14(2)23-24(22,18-12-10-17(11-13-18)20(4)5)19(21)16-8-6-15(3)7-9-16/h6-14,19,21H,1-5H3
InChIKeySCPISPPQCXWGRP-UHFFFAOYSA-N
XLogP4.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.08
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

Benzyl [4-(dimethylamino)phenyl]{hydroxy[4-(propan-2-yl)phenyl]methyl}phosphinate
CID 4556052
2-Methylpropyl [4-(dimethylamino)phenyl][hydroxy(phenyl)methyl]phosphinate
CID 3709375
Butyl (4-(dimethylamino)phenyl)((4-(dimethylamino)phenyl)(hydroxy)methyl)phosphinate
CID 3716818
Diisobutyl ((4-(dimethylamino)phenyl)(hydroxy)methyl)phosphonate
CID 3718851
Methyl (4-(dimethylamino)phenyl)(hydroxy(phenyl)methyl)phosphinate
CID 3806921
Dibutyl ((4-(dimethylamino)phenyl)(hydroxy)methyl)phosphonate
CID 5152984
Ethyl ((2,6-dichlorophenyl)(hydroxy)methyl)(4-(dimethylamino)phenyl)phosphinate
CID 662294
Propan-2-yl [(2,6-dichlorophenyl)(hydroxy)methyl][4-(dimethylamino)phenyl]phosphinate
CID 662342
Ethyl (4-(dimethylamino)phenyl)(hydroxy(phenyl)methyl)phosphinate
CID 3569010
Propan-2-yl [4-(dimethylamino)phenyl][hydroxy(phenyl)methyl]phosphinate
CID 3575235
Diethyl {[4-(dimethylamino)phenyl](hydroxy)methyl}phosphonate
CID 3664226
Ethyl [4-(dimethylamino)phenyl][hydroxy(4-methylphenyl)methyl]phosphinate
CID 4327463

Frequently Asked Questions

What is the IUPAC name of [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol?
The IUPAC name of [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol (CID 3838712) is [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol.
What is the SMILES notation for [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol?
The canonical SMILES for [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol is Cc1ccc(C(O)P(=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol?
The InChIKey is SCPISPPQCXWGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO3P/c1-14(2)23-24(22,18-12-10-17(11-13-18)20(4)5)19(21)16-8-6-15(3)7-9-16/h6-14,19,21H,1-5H3.
What are the key properties of [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol?
[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-methylphenyl)methanol has a molecular weight of 347.40 g/mol, XLogP of 4.08, 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]-(4-methylphenyl)methanol is sourced from PubChem (CID 3838712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).