1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene

C30H32O7P2 — CID 163210836

IUPAC1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
SMILESCOc1ccccc1P(=O)(COCP(=O)(c1ccccc1OC)c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C30H32O7P2/c1-33-23-13-5-9-17-27(23)38(31,28-18-10-6-14-24(28)34-2)21-37-22-39(32,29-19-11-7-15-25(29)35-3)30-20-12-8-16-26(30)36-4/h5-20H,21-22H2,1-4H3
InChIKeySSZIOGFXFVMVGK-UHFFFAOYSA-N
MW566.53 g/mol
LogP4.98
Rot. Bonds12

About 1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene

1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene (PubChem CID 163210836) has the molecular formula C30H32O7P2 and a molecular weight of 566.53 g/mol. Its IUPAC name is 1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
PubChem CID163210836
Molecular FormulaC30H32O7P2
Molecular Weight566.53 g/mol
Exact Mass566.16
IUPAC Name1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
SMILESCOc1ccccc1P(=O)(COCP(=O)(c1ccccc1OC)c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C30H32O7P2/c1-33-23-13-5-9-17-27(23)38(31,28-18-10-6-14-24(28)34-2)21-37-22-39(32,29-19-11-7-15-25(29)35-3)30-20-12-8-16-26(30)36-4/h5-20H,21-22H2,1-4H3
InChIKeySSZIOGFXFVMVGK-UHFFFAOYSA-N
XLogP4.98
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-dimethylphosphoryl-2-methoxybenzene
CID 90152243
copper;(2-methoxyphenyl)phosphonic acid
CID 68628754
1-[butyl(phenyl)phosphoryl]-2-methoxybenzene
CID 14663612
1-dibutylphosphoryl-2-methoxybenzene
CID 15651948
1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
CID 156789195
1-[amino(phenyl)phosphoryl]-2-methoxybenzene
CID 122224691
N-tert-butyl-N-[[(2-methoxyphenyl)-phenylphosphoryl]methyl]nitrous amide
CID 132571794
1-[cyclohexyl(methyl)phosphoryl]-2-methoxybenzene
CID 12892172
1-diphenylphosphoryl-2-iodo-3-methoxybenzene
CID 14906787
1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene
CID 14246803
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
azane;1,2-dimethoxybenzene
CID 174437926

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene?
The IUPAC name of 1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene (CID 163210836) is 1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene.
What is the SMILES notation for 1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene?
The canonical SMILES for 1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene is COc1ccccc1P(=O)(COCP(=O)(c1ccccc1OC)c1ccccc1OC)c1ccccc1OC.
What is the InChIKey of 1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene?
The InChIKey is SSZIOGFXFVMVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32O7P2/c1-33-23-13-5-9-17-27(23)38(31,28-18-10-6-14-24(28)34-2)21-37-22-39(32,29-19-11-7-15-25(29)35-3)30-20-12-8-16-26(30)36-4/h5-20H,21-22H2,1-4H3.
What are the key properties of 1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene?
1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene has a molecular weight of 566.53 g/mol, XLogP of 4.98, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene is sourced from PubChem (CID 163210836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).