1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene

C32H27ClO2P2 — CID 132942198

IUPAC1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene
SMILESO=P(CC(c1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H27ClO2P2/c33-27-23-21-26(22-24-27)32(37(35,30-17-9-3-10-18-30)31-19-11-4-12-20-31)25-36(34,28-13-5-1-6-14-28)29-15-7-2-8-16-29/h1-24,32H,25H2
InChIKeyQNXDNBXRIFUVIN-UHFFFAOYSA-N
MW540.97 g/mol
LogP7.41
Rot. Bonds8

About 1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene

1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene (PubChem CID 132942198) has the molecular formula C32H27ClO2P2 and a molecular weight of 540.97 g/mol. Its IUPAC name is 1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene
PubChem CID132942198
Molecular FormulaC32H27ClO2P2
Molecular Weight540.97 g/mol
Exact Mass540.12
IUPAC Name1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene
SMILESO=P(CC(c1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H27ClO2P2/c33-27-23-21-26(22-24-27)32(37(35,30-17-9-3-10-18-30)31-19-11-4-12-20-31)25-36(34,28-13-5-1-6-14-28)29-15-7-2-8-16-29/h1-24,32H,25H2
InChIKeyQNXDNBXRIFUVIN-UHFFFAOYSA-N
XLogP7.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.97
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(diphenylphosphorylmethyl)benzene
CID 14941259
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
1-(4-chlorophenyl)-N-diphenylphosphorylbutan-1-amine
CID 102575612
1-(4-chlorophenyl)-2-diphenylphosphoryl-2-methylpropan-1-ol
CID 101093613
methyl (3R)-3-diphenylphosphoryl-3-phenylpropanoate
CID 102493910
methyl 3-diphenylphosphoryl-3-phenylpropanoate
CID 139256756
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
CID 10513936
N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine
CID 11089901
1-benzhydryl-4-chlorobenzene
CID 13050205
1-chloro-4-[(1S)-1-diphenoxyphosphoryl-2-nitroethyl]benzene
CID 102086867

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene?
The IUPAC name of 1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene (CID 132942198) is 1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene.
What is the SMILES notation for 1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene?
The canonical SMILES for 1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene is O=P(CC(c1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene?
The InChIKey is QNXDNBXRIFUVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClO2P2/c33-27-23-21-26(22-24-27)32(37(35,30-17-9-3-10-18-30)31-19-11-4-12-20-31)25-36(34,28-13-5-1-6-14-28)29-15-7-2-8-16-29/h1-24,32H,25H2.
What are the key properties of 1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene?
1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene has a molecular weight of 540.97 g/mol, XLogP of 7.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-bis(diphenylphosphoryl)ethyl]-4-chlorobenzene is sourced from PubChem (CID 132942198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).