1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene

C22H29Cl2OP — CID 102112436

IUPAC1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene
SMILESCCCCCCCCCCP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H29Cl2OP/c1-2-3-4-5-6-7-8-9-18-26(25,21-14-10-19(23)11-15-21)22-16-12-20(24)13-17-22/h10-17H,2-9,18H2,1H3
InChIKeyZQPQPQXSAKGGTO-UHFFFAOYSA-N
MW411.35 g/mol
LogP7.45
Rot. Bonds11

About 1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene

1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene (PubChem CID 102112436) has the molecular formula C22H29Cl2OP and a molecular weight of 411.35 g/mol. Its IUPAC name is 1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene
PubChem CID102112436
Molecular FormulaC22H29Cl2OP
Molecular Weight411.35 g/mol
Exact Mass410.13
IUPAC Name1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene
SMILESCCCCCCCCCCP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H29Cl2OP/c1-2-3-4-5-6-7-8-9-18-26(25,21-14-10-19(23)11-15-21)22-16-12-20(24)13-17-22/h10-17H,2-9,18H2,1H3
InChIKeyZQPQPQXSAKGGTO-UHFFFAOYSA-N
XLogP7.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.35
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040
1-[[butoxy(pentyl)phosphoryl]methyl]-4-chlorobenzene
CID 134288657
(4-chlorophenyl)-propylphosphinic acid
CID 66861527
1-chloro-4-[chloro(ethyl)phosphoryl]benzene
CID 13155233
1-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene
CID 70478247
1-chloro-4-dipropoxyphosphorylbenzene
CID 86198706
1-benzyl-2-[decyl(phenyl)phosphoryl]benzene
CID 158283262
barium(2+);bis((4-chlorophenyl)sulfonyl-di(nonoxy)phosphorylazanide)
CID 4098336
1-[4-[butyl(phenyl)phosphoryl]phenyl]ethanone
CID 13301418
1-chloro-4-(decylsulfinylmethyl)benzene
CID 57212623
1-(4-chlorophenyl)heptan-1-one
CID 12510889
[6-methoxyhexyl(phenyl)phosphoryl]benzene
CID 141463056

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene?
The IUPAC name of 1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene (CID 102112436) is 1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene.
What is the SMILES notation for 1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene?
The canonical SMILES for 1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene is CCCCCCCCCCP(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene?
The InChIKey is ZQPQPQXSAKGGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl2OP/c1-2-3-4-5-6-7-8-9-18-26(25,21-14-10-19(23)11-15-21)22-16-12-20(24)13-17-22/h10-17H,2-9,18H2,1H3.
What are the key properties of 1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene?
1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene has a molecular weight of 411.35 g/mol, XLogP of 7.45, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene is sourced from PubChem (CID 102112436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).