[2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite

C36H37O9P — CID 142850174

IUPAC[2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite
SMILESCCCc1cc(OC)ccc1C(=O)c1ccccc1OP(Oc1ccccc1C1COCCO1)Oc1ccccc1C1OCCO1
InChIInChI=1S/C36H37O9P/c1-3-10-25-23-26(38-2)17-18-27(25)35(37)29-12-5-8-15-32(29)44-46(45-33-16-9-6-13-30(33)36-41-21-22-42-36)43-31-14-7-4-11-28(31)34-24-39-19-20-40-34/h4-9,11-18,23,34,36H,3,10,19-22,24H2,1-2H3
InChIKeyBSUOVKVTKMUKMX-UHFFFAOYSA-N
MW644.66 g/mol
LogP7.78
Rot. Bonds13

About [2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite

[2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite (PubChem CID 142850174) has the molecular formula C36H37O9P and a molecular weight of 644.66 g/mol. Its IUPAC name is [2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite.

Molecular Properties

Compound Name[2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite
PubChem CID142850174
Molecular FormulaC36H37O9P
Molecular Weight644.66 g/mol
Exact Mass644.22
IUPAC Name[2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite
SMILESCCCc1cc(OC)ccc1C(=O)c1ccccc1OP(Oc1ccccc1C1COCCO1)Oc1ccccc1C1OCCO1
InChIInChI=1S/C36H37O9P/c1-3-10-25-23-26(38-2)17-18-27(25)35(37)29-12-5-8-15-32(29)44-46(45-33-16-9-6-13-30(33)36-41-21-22-42-36)43-31-14-7-4-11-28(31)34-24-39-19-20-40-34/h4-9,11-18,23,34,36H,3,10,19-22,24H2,1-2H3
InChIKeyBSUOVKVTKMUKMX-UHFFFAOYSA-N
XLogP7.78
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.66
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite
CID 58931610
[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite
CID 58931668
[2-[2-bis(2-formylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-formylphenyl) phosphite
CID 89185095
[2-(2-dipyridin-3-yloxyphosphanyloxybenzoyl)-5-methoxyphenyl] dipyridin-3-yl phosphite
CID 58931598
bis(2-acetyl-5-methoxyphenyl) [2-[bis(2-acetyl-5-methoxyphenoxy)phosphanyloxy-dimethylsilyl]phenyl] phosphite
CID 58610847
3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 70944339
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
[2-[2-bis[2-(1,3-dioxolan-2-yl)phenoxy]phosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] bis[2-(1,3-dioxolan-2-yl)phenyl] phosphite
CID 140503561
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
2-[2-(1,3-dioxolan-2-yl)phenyl]acetic acid
CID 10262496
[2-[2-bis(2-tert-butylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] (2-tert-butylphenyl) (2-propan-2-ylphenyl) phosphite
CID 58640381

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite?
The IUPAC name of [2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite (CID 142850174) is [2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite.
What is the SMILES notation for [2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite?
The canonical SMILES for [2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite is CCCc1cc(OC)ccc1C(=O)c1ccccc1OP(Oc1ccccc1C1COCCO1)Oc1ccccc1C1OCCO1.
What is the InChIKey of [2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite?
The InChIKey is BSUOVKVTKMUKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37O9P/c1-3-10-25-23-26(38-2)17-18-27(25)35(37)29-12-5-8-15-32(29)44-46(45-33-16-9-6-13-30(33)36-41-21-22-42-36)43-31-14-7-4-11-28(31)34-24-39-19-20-40-34/h4-9,11-18,23,34,36H,3,10,19-22,24H2,1-2H3.
What are the key properties of [2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite?
[2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite has a molecular weight of 644.66 g/mol, XLogP of 7.78, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dioxan-2-yl)phenyl] [2-(1,3-dioxolan-2-yl)phenyl] [2-(4-methoxy-2-propylbenzoyl)phenyl] phosphite is sourced from PubChem (CID 142850174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).