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1-Methoxy-2-[2-[(2-methoxyphenyl)-phenylphosphoryl]ethyl-phenylphosphoryl]benzene

HCID 335508
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
74713-67-0
Standard SMILES
COc1ccccc1P(=O)(CCP(=O)(c1ccccc1)c1ccccc1OC)c1ccccc1
InChIKey
VQWBGASXMXZTEZ-UHFFFAOYSA-N
Molecular formula
C28H28O4P2
Average molar mass
490.5 g/mol
Monoisotopic mass
490.14628264

Names & identifiers

Preferred name
1-Methoxy-2-[2-[(2-methoxyphenyl)-phenylphosphoryl]ethyl-phenylphosphoryl]benzene
IUPAC
1-methoxy-2-[2-[(2-methoxyphenyl)-phenylphosphoryl]ethyl-phenylphosphoryl]benzene

Names & synonyms

74713-67-01-methoxy-2-[2-[(2-methoxyphenyl)-phenylphosphoryl]ethyl-phenylphosphoryl]benzeneNSC345317SCHEMBL3807805SCHEMBL29396406DTXSID70319439VQWBGASXMXZTEZ-UHFFFAOYSA-NNSC-3453171,2-bis[P-(2-methoxyphenyl)-P-phenylphosphinyl]ethane(Ethane-1,2-diyl)bis[(2-methoxyphenyl)(oxo)(phenyl)-lambda~5~-phosphane]

Database identifiers

CAS
74713-67-0
PubChem CID
335508
DTXSID
DTXSID70319439
Nikkaji
J3.038.450D

Properties

Computed structural propertiesFilling in

XLogP
4.7
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
34
Formal charge
0
Complexity
653

Related reactions

2 records
New reaction record
HRID 290709 reaction equation
HRID 290709As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 979373 reaction equation
HRID 979373As reactantuspto-grants-1987_05

Compound notes

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