1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium

C22H30O4P2+2 — CID 88786124

IUPAC1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium
SMILESCOc1ccccc1CC(C)[P+](=O)CC[P+](=O)C(C)Cc1ccccc1OC
InChIInChI=1S/C22H30O4P2/c1-17(15-19-9-5-7-11-21(19)25-3)27(23)13-14-28(24)18(2)16-20-10-6-8-12-22(20)26-4/h5-12,17-18H,13-16H2,1-4H3/q+2
InChIKeyIWWRAZDCCLHQFI-UHFFFAOYSA-N
MW420.43 g/mol
LogP5.92
Rot. Bonds11

About 1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium

1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium (PubChem CID 88786124) has the molecular formula C22H30O4P2+2 and a molecular weight of 420.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium.

Molecular Properties

Compound Name1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium
PubChem CID88786124
Molecular FormulaC22H30O4P2+2
Molecular Weight420.43 g/mol
Exact Mass420.16
IUPAC Name1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium
SMILESCOc1ccccc1CC(C)[P+](=O)CC[P+](=O)C(C)Cc1ccccc1OC
InChIInChI=1S/C22H30O4P2/c1-17(15-19-9-5-7-11-21(19)25-3)27(23)13-14-28(24)18(2)16-20-10-6-8-12-22(20)26-4/h5-12,17-18H,13-16H2,1-4H3/q+2
InChIKeyIWWRAZDCCLHQFI-UHFFFAOYSA-N
XLogP5.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium with MolForge

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Related Compounds

(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848
1-(4-bromo-2-methylpentyl)-2-methoxybenzene
CID 64721690
1-(2-methoxyphenyl)-3-methylpentan-2-ol
CID 63018266
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide
CID 47070223
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
3-[(2-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 69226800

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium?
The IUPAC name of 1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium (CID 88786124) is 1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium.
What is the SMILES notation for 1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium?
The canonical SMILES for 1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium is COc1ccccc1CC(C)[P+](=O)CC[P+](=O)C(C)Cc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium?
The InChIKey is IWWRAZDCCLHQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O4P2/c1-17(15-19-9-5-7-11-21(19)25-3)27(23)13-14-28(24)18(2)16-20-10-6-8-12-22(20)26-4/h5-12,17-18H,13-16H2,1-4H3/q+2.
What are the key properties of 1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium?
1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium has a molecular weight of 420.43 g/mol, XLogP of 5.92, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)propan-2-yl-[2-[1-(2-methoxyphenyl)propan-2-yl-oxophosphaniumyl]ethyl]-oxophosphanium is sourced from PubChem (CID 88786124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).