diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol

C26H31O7P — CID 91115614

IUPACdiethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol
SMILESCCOP(=O)(OCC)C(O)c1ccc(OCOC)c(Cc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C26H31O7P/c1-4-31-34(28,32-5-2)26(27)21-13-16-25(30-19-29-3)22(18-21)17-20-11-14-24(15-12-20)33-23-9-7-6-8-10-23/h6-16,18,26-27H,4-5,17,19H2,1-3H3
InChIKeyYLSDURWFKOHSBL-UHFFFAOYSA-N
MW486.50 g/mol
LogP6.31
Rot. Bonds13

About diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol

diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol (PubChem CID 91115614) has the molecular formula C26H31O7P and a molecular weight of 486.50 g/mol. Its IUPAC name is diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol.

Molecular Properties

Compound Namediethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol
PubChem CID91115614
Molecular FormulaC26H31O7P
Molecular Weight486.50 g/mol
Exact Mass486.18
IUPAC Namediethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol
SMILESCCOP(=O)(OCC)C(O)c1ccc(OCOC)c(Cc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C26H31O7P/c1-4-31-34(28,32-5-2)26(27)21-13-16-25(30-19-29-3)22(18-21)17-20-11-14-24(15-12-20)33-23-9-7-6-8-10-23/h6-16,18,26-27H,4-5,17,19H2,1-3H3
InChIKeyYLSDURWFKOHSBL-UHFFFAOYSA-N
XLogP6.31
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.50
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]benzaldehyde
CID 86235408
1-(methoxymethoxy)-2-[(4-phenoxyphenyl)methyl]benzene
CID 141142570
3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235410
3-[[4-(2-ethoxyethoxy)phenyl]methyl]-4-(methoxymethoxy)benzaldehyde
CID 87448764
[(S)-diethoxyphosphoryl-(3-phenoxyphenyl)methyl] (2S)-2-methoxy-2-phenylacetate
CID 23420739
ethyl 2-hydroxy-2-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 22458966
(R)-(3-bromophenyl)-diethoxyphosphorylmethanol
CID 129391567
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
1,2,3-trimethoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 54421334
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
2-[3-[3-[diethoxyphosphoryl(hydroxy)methyl]phenoxy]propyl]isoindole-1,3-dione
CID 58658740
2-diazo-1-[2-(methoxymethoxy)-5-phenoxyphenyl]ethanone
CID 85281521

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol?
The IUPAC name of diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol (CID 91115614) is diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol.
What is the SMILES notation for diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol?
The canonical SMILES for diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol is CCOP(=O)(OCC)C(O)c1ccc(OCOC)c(Cc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol?
The InChIKey is YLSDURWFKOHSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31O7P/c1-4-31-34(28,32-5-2)26(27)21-13-16-25(30-19-29-3)22(18-21)17-20-11-14-24(15-12-20)33-23-9-7-6-8-10-23/h6-16,18,26-27H,4-5,17,19H2,1-3H3.
What are the key properties of diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol?
diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol has a molecular weight of 486.50 g/mol, XLogP of 6.31, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl-[4-(methoxymethoxy)-3-[(4-phenoxyphenyl)methyl]phenyl]methanol is sourced from PubChem (CID 91115614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).