1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene

C14H12Cl4O4P2 — CID 19437372

IUPAC1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene
SMILESCOc1cccc(P(=O)(Cl)Cl)c1-c1c(OC)cccc1P(=O)(Cl)Cl
InChIInChI=1S/C14H12Cl4O4P2/c1-21-9-5-3-7-11(23(15,16)19)13(9)14-10(22-2)6-4-8-12(14)24(17,18)20/h3-8H,1-2H3
InChIKeyHYYCLMKTTJGPKX-UHFFFAOYSA-N
MW448.01 g/mol
LogP5.96
Rot. Bonds5

About 1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene

1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene (PubChem CID 19437372) has the molecular formula C14H12Cl4O4P2 and a molecular weight of 448.01 g/mol. Its IUPAC name is 1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene
PubChem CID19437372
Molecular FormulaC14H12Cl4O4P2
Molecular Weight448.01 g/mol
Exact Mass445.90
IUPAC Name1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene
SMILESCOc1cccc(P(=O)(Cl)Cl)c1-c1c(OC)cccc1P(=O)(Cl)Cl
InChIInChI=1S/C14H12Cl4O4P2/c1-21-9-5-3-7-11(23(15,16)19)13(9)14-10(22-2)6-4-8-12(14)24(17,18)20/h3-8H,1-2H3
InChIKeyHYYCLMKTTJGPKX-UHFFFAOYSA-N
XLogP5.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.01
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[[2-[2-bis[3,5-bis(trimethylsilyl)phenyl]phosphoryl-6-methoxyphenyl]-3-methoxyphenyl]-[3,5-bis(trimethylsilyl)phenyl]phosphoryl]-5-trimethylsilylphenyl]-trimethylsilane
CID 19380233
1-dimethylphosphoryl-2-methoxybenzene
CID 90152243
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
copper;(2-methoxyphenyl)phosphonic acid
CID 68628754
chloro-(2-methoxyphenoxy)phosphinic acid
CID 88749959
1-[bis(2-methoxyphenyl)phosphorylmethoxymethyl-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
CID 163210836
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
1-diphenylphosphoryl-2-iodo-3-methoxybenzene
CID 14906787
1-[2-chloroethoxy-(2-methoxyphenyl)phosphoryl]-2-methoxybenzene
CID 156789195
1-[amino(phenyl)phosphoryl]-2-methoxybenzene
CID 122224691
1,5-dimethoxyfluoren-9-one
CID 19594782
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248

Frequently Asked Questions

What is the IUPAC name of 1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene?
The IUPAC name of 1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene (CID 19437372) is 1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene.
What is the SMILES notation for 1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene?
The canonical SMILES for 1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene is COc1cccc(P(=O)(Cl)Cl)c1-c1c(OC)cccc1P(=O)(Cl)Cl.
What is the InChIKey of 1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene?
The InChIKey is HYYCLMKTTJGPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl4O4P2/c1-21-9-5-3-7-11(23(15,16)19)13(9)14-10(22-2)6-4-8-12(14)24(17,18)20/h3-8H,1-2H3.
What are the key properties of 1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene?
1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene has a molecular weight of 448.01 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorophosphoryl-2-(2-dichlorophosphoryl-6-methoxyphenyl)-3-methoxybenzene is sourced from PubChem (CID 19437372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).