[2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite

C22H22O7PS- — CID 91579705

IUPAC[2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite
SMILESCOc1ccc(P(c2ccc(OC)cc2OC)c2ccccc2OS(=O)[O-])c(OC)c1
InChIInChI=1S/C22H23O7PS/c1-25-15-9-11-21(18(13-15)27-3)30(20-8-6-5-7-17(20)29-31(23)24)22-12-10-16(26-2)14-19(22)28-4/h5-14H,1-4H3,(H,23,24)/p-1
InChIKeyQGHCABDNMKWQOV-UHFFFAOYSA-M
MW461.45 g/mol
LogP2.65
Rot. Bonds9

About [2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite

[2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite (PubChem CID 91579705) has the molecular formula C22H22O7PS- and a molecular weight of 461.45 g/mol. Its IUPAC name is [2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite.

Molecular Properties

Compound Name[2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite
PubChem CID91579705
Molecular FormulaC22H22O7PS-
Molecular Weight461.45 g/mol
Exact Mass461.08
IUPAC Name[2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite
SMILESCOc1ccc(P(c2ccc(OC)cc2OC)c2ccccc2OS(=O)[O-])c(OC)c1
InChIInChI=1S/C22H23O7PS/c1-25-15-9-11-21(18(13-15)27-3)30(20-8-6-5-7-17(20)29-31(23)24)22-12-10-16(26-2)14-19(22)28-4/h5-14H,1-4H3,(H,23,24)/p-1
InChIKeyQGHCABDNMKWQOV-UHFFFAOYSA-M
XLogP2.65
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[bis(dimethylamino)phosphanyl]phenyl]-(2,4-dimethoxyphenyl)phosphanyl]-5-methoxyphenol
CID 144987411
CID 157372907
CID 157372907
[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite
CID 58931610
3-bis(2,4-dimethoxyphenyl)phosphanylpropyl-bis(2,4-dimethoxyphenyl)phosphane
CID 54403978
[2-bis(4-methoxyphenyl)phosphanylphenyl]-bis(4-methoxyphenyl)phosphane
CID 87320481
bis(2-bis(2-methoxyphenyl)phosphanylbenzenesulfonate);palladium(2+)
CID 162373258
[2-[2-bis(2-methylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] bis(2-methylphenyl) phosphite
CID 58931668
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
2,4-dimethoxybenzoate
CID 6947027
phenyl-bis(2,4,6-trimethoxyphenyl)phosphane
CID 54206257
disodium;anisole;sulfite
CID 158776652
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993

Frequently Asked Questions

What is the IUPAC name of [2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite?
The IUPAC name of [2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite (CID 91579705) is [2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite.
What is the SMILES notation for [2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite?
The canonical SMILES for [2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite is COc1ccc(P(c2ccc(OC)cc2OC)c2ccccc2OS(=O)[O-])c(OC)c1.
What is the InChIKey of [2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite?
The InChIKey is QGHCABDNMKWQOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H23O7PS/c1-25-15-9-11-21(18(13-15)27-3)30(20-8-6-5-7-17(20)29-31(23)24)22-12-10-16(26-2)14-19(22)28-4/h5-14H,1-4H3,(H,23,24)/p-1.
What are the key properties of [2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite?
[2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite has a molecular weight of 461.45 g/mol, XLogP of 2.65, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis(2,4-dimethoxyphenyl)phosphanylphenyl] sulfite is sourced from PubChem (CID 91579705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).