1-benzyl-2-[decyl(phenyl)phosphoryl]benzene

C29H37OP — CID 158283262

IUPAC1-benzyl-2-[decyl(phenyl)phosphoryl]benzene
SMILESCCCCCCCCCCP(=O)(c1ccccc1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C29H37OP/c1-2-3-4-5-6-7-8-17-24-31(30,28-21-13-10-14-22-28)29-23-16-15-20-27(29)25-26-18-11-9-12-19-26/h9-16,18-23H,2-8,17,24-25H2,1H3
InChIKeyGKLPOZQOQKJZQC-UHFFFAOYSA-N
MW432.59 g/mol
LogP7.73
Rot. Bonds13

About 1-benzyl-2-[decyl(phenyl)phosphoryl]benzene

1-benzyl-2-[decyl(phenyl)phosphoryl]benzene (PubChem CID 158283262) has the molecular formula C29H37OP and a molecular weight of 432.59 g/mol. Its IUPAC name is 1-benzyl-2-[decyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name1-benzyl-2-[decyl(phenyl)phosphoryl]benzene
PubChem CID158283262
Molecular FormulaC29H37OP
Molecular Weight432.59 g/mol
Exact Mass432.26
IUPAC Name1-benzyl-2-[decyl(phenyl)phosphoryl]benzene
SMILESCCCCCCCCCCP(=O)(c1ccccc1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C29H37OP/c1-2-3-4-5-6-7-8-17-24-31(30,28-21-13-10-14-22-28)29-23-16-15-20-27(29)25-26-18-11-9-12-19-26/h9-16,18-23H,2-8,17,24-25H2,1H3
InChIKeyGKLPOZQOQKJZQC-UHFFFAOYSA-N
XLogP7.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 57.73
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-ethyl-2-[(2-ethylphenyl)-octylphosphoryl]benzene
CID 70478247
1-[butyl(phenyl)phosphoryl]-2-methoxybenzene
CID 14663612
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040
[6-methoxyhexyl(phenyl)phosphoryl]benzene
CID 141463056
1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene
CID 102112436
dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232
1,4-bis[(2-octylphenyl)methyl]benzene
CID 22921262
didodecyl-methylidene-phenyl-λ5-phosphane
CID 139749154
1-diphenylphosphoryl-4-octylbenzene
CID 154968938
(2-heptadecylphenyl)phosphonic acid
CID 23434842
1-[chloro-(2-heptylphenyl)phosphoryl]-2-heptylbenzene
CID 156694182
1-[4-[butyl(phenyl)phosphoryl]phenyl]ethanone
CID 13301418

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[decyl(phenyl)phosphoryl]benzene?
The IUPAC name of 1-benzyl-2-[decyl(phenyl)phosphoryl]benzene (CID 158283262) is 1-benzyl-2-[decyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for 1-benzyl-2-[decyl(phenyl)phosphoryl]benzene?
The canonical SMILES for 1-benzyl-2-[decyl(phenyl)phosphoryl]benzene is CCCCCCCCCCP(=O)(c1ccccc1)c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[decyl(phenyl)phosphoryl]benzene?
The InChIKey is GKLPOZQOQKJZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37OP/c1-2-3-4-5-6-7-8-17-24-31(30,28-21-13-10-14-22-28)29-23-16-15-20-27(29)25-26-18-11-9-12-19-26/h9-16,18-23H,2-8,17,24-25H2,1H3.
What are the key properties of 1-benzyl-2-[decyl(phenyl)phosphoryl]benzene?
1-benzyl-2-[decyl(phenyl)phosphoryl]benzene has a molecular weight of 432.59 g/mol, XLogP of 7.73, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[decyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 158283262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).